4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol

C30H38O2 — CID 139607697

IUPAC4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol
SMILESCCCCCCc1cc(Cc2cc(C)c(O)c(C3CCCCC3)c2)c2ccccc2c1O
InChIInChI=1S/C30H38O2/c1-3-4-5-7-14-24-20-25(26-15-10-11-16-27(26)30(24)32)18-22-17-21(2)29(31)28(19-22)23-12-8-6-9-13-23/h10-11,15-17,19-20,23,31-32H,3-9,12-14,18H2,1-2H3
InChIKeyOGYQRGMYCQKTFB-UHFFFAOYSA-N
MW430.63 g/mol
LogP8.32
Rot. Bonds8

About 4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol

4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol (PubChem CID 139607697) has the molecular formula C30H38O2 and a molecular weight of 430.63 g/mol. Its IUPAC name is 4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol.

Molecular Properties

Compound Name4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol
PubChem CID139607697
Molecular FormulaC30H38O2
Molecular Weight430.63 g/mol
Exact Mass430.29
IUPAC Name4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol
SMILESCCCCCCc1cc(Cc2cc(C)c(O)c(C3CCCCC3)c2)c2ccccc2c1O
InChIInChI=1S/C30H38O2/c1-3-4-5-7-14-24-20-25(26-15-10-11-16-27(26)30(24)32)18-22-17-21(2)29(31)28(19-22)23-12-8-6-9-13-23/h10-11,15-17,19-20,23,31-32H,3-9,12-14,18H2,1-2H3
InChIKeyOGYQRGMYCQKTFB-UHFFFAOYSA-N
XLogP8.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 58.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-4-decyl-6-methylphenol
CID 174344111
1-butyl-4-cyclohexylnaphthalene
CID 173269132
1-cyclohexyl-2-heptylbenzene
CID 154399814
2-cyclohexyl-4-(methoxymethyl)-6-methylphenol
CID 143901397
1-cyclopentyl-4-propylnaphthalene
CID 173269016
1-cyclopropyl-2-hexylbenzene
CID 172995295
(3,6-dibutyl-4-cyclohexyl-2-hydroxyphenyl) hydrogen carbonate
CID 87860867
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 19940310
2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol
CID 139824888
2-undecylnaphthalen-1-ol
CID 139729579
2-cyclopentyl-1,3-dimethyl-5-pentylbenzene
CID 176571033
2-methyl-6-undecylphenol
CID 174998801

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol?
The IUPAC name of 4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol (CID 139607697) is 4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol.
What is the SMILES notation for 4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol?
The canonical SMILES for 4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol is CCCCCCc1cc(Cc2cc(C)c(O)c(C3CCCCC3)c2)c2ccccc2c1O.
What is the InChIKey of 4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol?
The InChIKey is OGYQRGMYCQKTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O2/c1-3-4-5-7-14-24-20-25(26-15-10-11-16-27(26)30(24)32)18-22-17-21(2)29(31)28(19-22)23-12-8-6-9-13-23/h10-11,15-17,19-20,23,31-32H,3-9,12-14,18H2,1-2H3.
What are the key properties of 4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol?
4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol has a molecular weight of 430.63 g/mol, XLogP of 8.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol is sourced from PubChem (CID 139607697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).