4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol

C48H62O3 — CID 143736900

IUPAC4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol
SMILESCC(C)(C1CCC(C2=CCCC=C2)(c2ccc(O)cc2)CC1)C1CCCC(C(C)(C)C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)C1
InChIInChI=1S/C48H62O3/c1-45(2,34-25-29-47(30-26-34,36-9-6-5-7-10-36)37-13-19-42(49)20-14-37)40-11-8-12-41(33-40)46(3,4)35-27-31-48(32-28-35,38-15-21-43(50)22-16-38)39-17-23-44(51)24-18-39/h6,9-10,13-24,34-35,40-41,49-51H,5,7-8,11-12,25-33H2,1-4H3
InChIKeyPMRYMEZXKWZTDH-UHFFFAOYSA-N
MW687.02 g/mol
LogP12.54
Rot. Bonds8

About 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol

4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol (PubChem CID 143736900) has the molecular formula C48H62O3 and a molecular weight of 687.02 g/mol. Its IUPAC name is 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol
PubChem CID143736900
Molecular FormulaC48H62O3
Molecular Weight687.02 g/mol
Exact Mass686.47
IUPAC Name4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol
SMILESCC(C)(C1CCC(C2=CCCC=C2)(c2ccc(O)cc2)CC1)C1CCCC(C(C)(C)C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)C1
InChIInChI=1S/C48H62O3/c1-45(2,34-25-29-47(30-26-34,36-9-6-5-7-10-36)37-13-19-42(49)20-14-37)40-11-8-12-41(33-40)46(3,4)35-27-31-48(32-28-35,38-15-21-43(50)22-16-38)39-17-23-44(51)24-18-39/h6,9-10,13-24,34-35,40-41,49-51H,5,7-8,11-12,25-33H2,1-4H3
InChIKeyPMRYMEZXKWZTDH-UHFFFAOYSA-N
XLogP12.54
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.02
LogP ≤ 512.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol with MolForge

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Related Compounds

4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 158636490
4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 59283725
4-[4-[2-[4-(4-hydroxycyclohepta-1,3,5,6-tetraen-1-yl)-4-(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxycyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohepta-1,3,5,6-tetraen-1-ol;lawrencium
CID 142030742
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol
CID 11034267
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 19873642
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
CID 2303370
2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]phenol
CID 142700630
4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol
CID 19873605
N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 19891768
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol
CID 139952304

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol?
The IUPAC name of 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol (CID 143736900) is 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol.
What is the SMILES notation for 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol?
The canonical SMILES for 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol is CC(C)(C1CCC(C2=CCCC=C2)(c2ccc(O)cc2)CC1)C1CCCC(C(C)(C)C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)C1.
What is the InChIKey of 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol?
The InChIKey is PMRYMEZXKWZTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H62O3/c1-45(2,34-25-29-47(30-26-34,36-9-6-5-7-10-36)37-13-19-42(49)20-14-37)40-11-8-12-41(33-40)46(3,4)35-27-31-48(32-28-35,38-15-21-43(50)22-16-38)39-17-23-44(51)24-18-39/h6,9-10,13-24,34-35,40-41,49-51H,5,7-8,11-12,25-33H2,1-4H3.
What are the key properties of 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol?
4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol has a molecular weight of 687.02 g/mol, XLogP of 12.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol is sourced from PubChem (CID 143736900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).