carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol

C32H32O4 — CID 118510478

IUPACcarbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol
SMILESO=C(O)O.OC(CCCc1ccccc1)c1ccccc1-c1ccc(-c2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C31H30O.CH2O3/c32-31(12-6-9-23-7-2-1-3-8-23)30-11-5-4-10-29(30)28-21-19-27(20-22-28)26-17-15-25(16-18-26)24-13-14-24;2-1(3)4/h1-5,7-8,10-11,15-22,24,31-32H,6,9,12-14H2;(H2,2,3,4)
InChIKeyBEIRCETZOLZEOY-UHFFFAOYSA-N
MW480.60 g/mol
LogP8.18
Rot. Bonds8

About carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol

carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol (PubChem CID 118510478) has the molecular formula C32H32O4 and a molecular weight of 480.60 g/mol. Its IUPAC name is carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol.

Molecular Properties

Compound Namecarbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol
PubChem CID118510478
Molecular FormulaC32H32O4
Molecular Weight480.60 g/mol
Exact Mass480.23
IUPAC Namecarbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol
SMILESO=C(O)O.OC(CCCc1ccccc1)c1ccccc1-c1ccc(-c2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C31H30O.CH2O3/c32-31(12-6-9-23-7-2-1-3-8-23)30-11-5-4-10-29(30)28-21-19-27(20-22-28)26-17-15-25(16-18-26)24-13-14-24;2-1(3)4/h1-5,7-8,10-11,15-22,24,31-32H,6,9,12-14H2;(H2,2,3,4)
InChIKeyBEIRCETZOLZEOY-UHFFFAOYSA-N
XLogP8.18
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 58.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol
CID 79980245
1-[4-[4-[4-(1-hydroxy-4-phenylbutyl)-3-pyridinyl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 57386878
1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol
CID 70256391
4-phenyl-1-[(1S,5R)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butan-1-one
CID 159040050
1-(2-cyclobutylphenyl)-3-phenylpropan-1-ol
CID 114601312
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241
oxalic acid;1-(4-phenylcyclohexyl)-4-(3-phenylpropyl)piperazine
CID 90483695
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
4-(4-phenylphenyl)cyclohexane-1-carboxylate
CID 4620485
acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid
CID 173433597

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol?
The IUPAC name of carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol (CID 118510478) is carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol.
What is the SMILES notation for carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol?
The canonical SMILES for carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol is O=C(O)O.OC(CCCc1ccccc1)c1ccccc1-c1ccc(-c2ccc(C3CC3)cc2)cc1.
What is the InChIKey of carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol?
The InChIKey is BEIRCETZOLZEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O.CH2O3/c32-31(12-6-9-23-7-2-1-3-8-23)30-11-5-4-10-29(30)28-21-19-27(20-22-28)26-17-15-25(16-18-26)24-13-14-24;2-1(3)4/h1-5,7-8,10-11,15-22,24,31-32H,6,9,12-14H2;(H2,2,3,4).
What are the key properties of carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol?
carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol has a molecular weight of 480.60 g/mol, XLogP of 8.18, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-[2-[4-(4-cyclopropylphenyl)phenyl]phenyl]-4-phenylbutan-1-ol is sourced from PubChem (CID 118510478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).