diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol

C42H36O7 — CID 137499054

IUPACdiphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
SMILESO=C(Oc1ccccc1)Oc1ccccc1.OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H26O4.C13H10O3/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;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-16,30-31H,17-20H2;1-10H
InChIKeyFAXHBQTVJOERGZ-UHFFFAOYSA-N
MW652.74 g/mol
LogP8.06
Rot. Bonds10

About diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol

diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol (PubChem CID 137499054) has the molecular formula C42H36O7 and a molecular weight of 652.74 g/mol. Its IUPAC name is diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol.

Molecular Properties

Compound Namediphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
PubChem CID137499054
Molecular FormulaC42H36O7
Molecular Weight652.74 g/mol
Exact Mass652.25
IUPAC Namediphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
SMILESO=C(Oc1ccccc1)Oc1ccccc1.OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H26O4.C13H10O3/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;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-16,30-31H,17-20H2;1-10H
InChIKeyFAXHBQTVJOERGZ-UHFFFAOYSA-N
XLogP8.06
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.74
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The IUPAC name of diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol (CID 137499054) is diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol.
What is the SMILES notation for diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The canonical SMILES for diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol is O=C(Oc1ccccc1)Oc1ccccc1.OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The InChIKey is FAXHBQTVJOERGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O4.C13H10O3/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;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-16,30-31H,17-20H2;1-10H.
What are the key properties of diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol has a molecular weight of 652.74 g/mol, XLogP of 8.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol is sourced from PubChem (CID 137499054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).