2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol

C24H32O — CID 175161537

IUPAC2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol
SMILESCCc1ccccc1C1(c2ccc(O)c(C(C)CC)c2)CCCCC1
InChIInChI=1S/C24H32O/c1-4-18(3)21-17-20(13-14-23(21)25)24(15-9-6-10-16-24)22-12-8-7-11-19(22)5-2/h7-8,11-14,17-18,25H,4-6,9-10,15-16H2,1-3H3
InChIKeyDYBRCQJTNKRSNI-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.72
Rot. Bonds5

About 2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol

2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol (PubChem CID 175161537) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol
PubChem CID175161537
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol
SMILESCCc1ccccc1C1(c2ccc(O)c(C(C)CC)c2)CCCCC1
InChIInChI=1S/C24H32O/c1-4-18(3)21-17-20(13-14-23(21)25)24(15-9-6-10-16-24)22-12-8-7-11-19(22)5-2/h7-8,11-14,17-18,25H,4-6,9-10,15-16H2,1-3H3
InChIKeyDYBRCQJTNKRSNI-UHFFFAOYSA-N
XLogP6.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-(1-phenylcyclohexyl)benzene
CID 173103892
4-[1-[4-hydroxy-3-(2-methylpropyl)phenyl]cyclohexyl]-2-(2-methylpropyl)phenol
CID 22003359
2-butan-2-ylphenol;formaldehyde
CID 66765994
1-ethyl-2-(1-methylcyclohexyl)benzene
CID 71388043
2-[1-(3-hydroxyphenyl)cyclohexyl]phenol
CID 57034536
1-(2-ethylphenyl)cyclohexane-1-carboxamide
CID 70002174
2,3-dichloro-4-[1-(3-chloro-4-hydroxyphenyl)cyclohexyl]phenol
CID 21161611
4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol
CID 117347337
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456
1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxyphenyl)cycloheptyl]phenol
CID 139824515
2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
CID 117313437

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol?
The IUPAC name of 2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol (CID 175161537) is 2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol.
What is the SMILES notation for 2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol?
The canonical SMILES for 2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol is CCc1ccccc1C1(c2ccc(O)c(C(C)CC)c2)CCCCC1.
What is the InChIKey of 2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol?
The InChIKey is DYBRCQJTNKRSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-4-18(3)21-17-20(13-14-23(21)25)24(15-9-6-10-16-24)22-12-8-7-11-19(22)5-2/h7-8,11-14,17-18,25H,4-6,9-10,15-16H2,1-3H3.
What are the key properties of 2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol?
2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol has a molecular weight of 336.52 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-[1-(2-ethylphenyl)cyclohexyl]phenol is sourced from PubChem (CID 175161537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).