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

C57H52O9 — CID 170853178

IUPACdiphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(Oc1ccccc1)Oc1ccccc1.OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H26O4.C15H16O2.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;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-16,30-31H,17-20H2;3-10,16-17H,1-2H3;1-10H
InChIKeyYJVUYWDEUMSRKM-UHFFFAOYSA-N
MW881.03 g/mol
LogP11.48
Rot. Bonds12

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

diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 170853178) has the molecular formula C57H52O9 and a molecular weight of 881.03 g/mol. Its IUPAC name is diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Namediphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID170853178
Molecular FormulaC57H52O9
Molecular Weight881.03 g/mol
Exact Mass880.36
IUPAC Namediphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(Oc1ccccc1)Oc1ccccc1.OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H26O4.C15H16O2.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;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-16,30-31H,17-20H2;3-10,16-17H,1-2H3;1-10H
InChIKeyYJVUYWDEUMSRKM-UHFFFAOYSA-N
XLogP11.48
TPSA134.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.03
LogP ≤ 511.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 170853178) is diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.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;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is YJVUYWDEUMSRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O4.C15H16O2.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;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-16,30-31H,17-20H2;3-10,16-17H,1-2H3;1-10H.
What are the key properties of diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
diphenyl carbonate;2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 881.03 g/mol, XLogP of 11.48, 12 rotatable bonds, 4 hydrogen bond donors, and 9 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;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 170853178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).