1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol

C62H60O11 — CID 165074124

IUPAC1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol
SMILESC1CO1.CCCO.O=C1OCCO1.OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H26O4.C25H18O2.C3H4O3.C3H8O.C2H4O/c30-17-19-32-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)33-20-18-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;4-3-5-1-2-6-3;1-2-3-4;1-2-3-1/h1-16,30-31H,17-20H2;1-16,26-27H;1-2H2;4H,2-3H2,1H3;1-2H2
InChIKeyUACCPVYCQSLYGV-UHFFFAOYSA-N
MW981.15 g/mol
LogP10.81
Rot. Bonds11

About 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol

1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol (PubChem CID 165074124) has the molecular formula C62H60O11 and a molecular weight of 981.15 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol.

Molecular Properties

Compound Name1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol
PubChem CID165074124
Molecular FormulaC62H60O11
Molecular Weight981.15 g/mol
Exact Mass980.41
IUPAC Name1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol
SMILESC1CO1.CCCO.O=C1OCCO1.OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H26O4.C25H18O2.C3H4O3.C3H8O.C2H4O/c30-17-19-32-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)33-20-18-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;4-3-5-1-2-6-3;1-2-3-4;1-2-3-1/h1-16,30-31H,17-20H2;1-16,26-27H;1-2H2;4H,2-3H2,1H3;1-2H2
InChIKeyUACCPVYCQSLYGV-UHFFFAOYSA-N
XLogP10.81
TPSA167.67 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500981.15
LogP ≤ 510.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;methane;4-[9-(4-methylphenyl)fluoren-9-yl]phenol;2-[4-[9-(4-propoxyphenyl)fluoren-9-yl]phenoxy]ethanol
CID 159486944
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate
CID 71033273
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] hypoiodite
CID 144644254
4-[9-[4-[[6-[[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]methyl]cyclodeca-1,3,5,7,9-pentaen-1-yl]methoxy]phenyl]fluoren-9-yl]phenol;4-[9-[4-[[4-[[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]methyl]phenyl]methoxy]phenyl]fluoren-9-yl]phenol;methane
CID 161011304
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
4-[9-[4-[(2E,4E)-6-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]hexa-2,4-dienoxy]phenyl]fluoren-9-yl]phenol
CID 118229850

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol?
The IUPAC name of 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol (CID 165074124) is 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol.
What is the SMILES notation for 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol?
The canonical SMILES for 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol is C1CO1.CCCO.O=C1OCCO1.OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol?
The InChIKey is UACCPVYCQSLYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O4.C25H18O2.C3H4O3.C3H8O.C2H4O/c30-17-19-32-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)33-20-18-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;4-3-5-1-2-6-3;1-2-3-4;1-2-3-1/h1-16,30-31H,17-20H2;1-16,26-27H;1-2H2;4H,2-3H2,1H3;1-2H2.
What are the key properties of 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol?
1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol has a molecular weight of 981.15 g/mol, XLogP of 10.81, 11 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;oxirane;propan-1-ol is sourced from PubChem (CID 165074124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).