[4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol

C47H60O4 — CID 58271454

IUPAC[4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol
SMILESCOc1ccc(C2(c3ccc(OC)c(C)c3)CCC(C(C)(C)C3CCC(c4ccc(CO)c(C)c4)(c4ccc(CO)c(C)c4)CC3)CC2)cc1C
InChIInChI=1S/C47H60O4/c1-31-25-39(11-9-35(31)29-48)46(40-12-10-36(30-49)32(2)26-40)21-17-37(18-22-46)45(5,6)38-19-23-47(24-20-38,41-13-15-43(50-7)33(3)27-41)42-14-16-44(51-8)34(4)28-42/h9-16,25-28,37-38,48-49H,17-24,29-30H2,1-8H3
InChIKeyFQQOABJRXFQTGH-UHFFFAOYSA-N
MW688.99 g/mol
LogP10.60
Rot. Bonds10

About [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol

[4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol (PubChem CID 58271454) has the molecular formula C47H60O4 and a molecular weight of 688.99 g/mol. Its IUPAC name is [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol
PubChem CID58271454
Molecular FormulaC47H60O4
Molecular Weight688.99 g/mol
Exact Mass688.45
IUPAC Name[4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol
SMILESCOc1ccc(C2(c3ccc(OC)c(C)c3)CCC(C(C)(C)C3CCC(c4ccc(CO)c(C)c4)(c4ccc(CO)c(C)c4)CC3)CC2)cc1C
InChIInChI=1S/C47H60O4/c1-31-25-39(11-9-35(31)29-48)46(40-12-10-36(30-49)32(2)26-40)21-17-37(18-22-46)45(5,6)38-19-23-47(24-20-38,41-13-15-43(50-7)33(3)27-41)42-14-16-44(51-8)34(4)28-42/h9-16,25-28,37-38,48-49H,17-24,29-30H2,1-8H3
InChIKeyFQQOABJRXFQTGH-UHFFFAOYSA-N
XLogP10.60
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.99
LogP ≤ 510.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol with MolForge

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Related Compounds

1-methoxy-4-[2-(4-methoxy-3-methylphenyl)butan-2-yl]-2-methylbenzene;1-methoxy-4-[1-(4-methoxy-3-methylphenyl)cyclohexyl]-2-methylbenzene
CID 167577887
[4-[4-[[4,4-bis[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]cyclohexyl]methyl]-1-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]cyclohexyl]-2-methylphenyl] tert-butyl carbonate
CID 145272245
4-(1-ethylcyclopentyl)-1-methoxy-2-methylbenzene
CID 143033175
[5-[1-(hydroxymethoxy)cyclopropyl]-2-methoxyphenyl]methanol
CID 70861045
4-[4-[1-[4-(4-amino-2-methylphenoxy)-3-methylphenyl]-4-butylcyclohexyl]-2-methylphenoxy]-3-methylaniline
CID 139758884
3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151485
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
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-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
CID 82084196
4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 63406908
1-(4-methoxy-3-methylphenyl)cyclopropane-1-carbaldehyde
CID 82125542
4-(4-methoxy-3-methylphenyl)-1-methylpiperidine-4-carbonitrile
CID 82085511

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol?
The IUPAC name of [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol (CID 58271454) is [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol?
The canonical SMILES for [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol is COc1ccc(C2(c3ccc(OC)c(C)c3)CCC(C(C)(C)C3CCC(c4ccc(CO)c(C)c4)(c4ccc(CO)c(C)c4)CC3)CC2)cc1C.
What is the InChIKey of [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol?
The InChIKey is FQQOABJRXFQTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H60O4/c1-31-25-39(11-9-35(31)29-48)46(40-12-10-36(30-49)32(2)26-40)21-17-37(18-22-46)45(5,6)38-19-23-47(24-20-38,41-13-15-43(50-7)33(3)27-41)42-14-16-44(51-8)34(4)28-42/h9-16,25-28,37-38,48-49H,17-24,29-30H2,1-8H3.
What are the key properties of [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol?
[4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol has a molecular weight of 688.99 g/mol, XLogP of 10.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[4,4-bis(4-methoxy-3-methylphenyl)cyclohexyl]propan-2-yl]-1-[4-(hydroxymethyl)-3-methylphenyl]cyclohexyl]-2-methylphenyl]methanol is sourced from PubChem (CID 58271454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).