(4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol

C18H28O — CID 107181582

IUPAC(4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol
SMILESCCCCc1ccc(C(O)C2CCCC2(C)C)cc1
InChIInChI=1S/C18H28O/c1-4-5-7-14-9-11-15(12-10-14)17(19)16-8-6-13-18(16,2)3/h9-12,16-17,19H,4-8,13H2,1-3H3
InChIKeyBEDFLZWVMZQTGU-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.89
Rot. Bonds5

About (4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol

(4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol (PubChem CID 107181582) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol.

Molecular Properties

Compound Name(4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol
PubChem CID107181582
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol
SMILESCCCCc1ccc(C(O)C2CCCC2(C)C)cc1
InChIInChI=1S/C18H28O/c1-4-5-7-14-9-11-15(12-10-14)17(19)16-8-6-13-18(16,2)3/h9-12,16-17,19H,4-8,13H2,1-3H3
InChIKeyBEDFLZWVMZQTGU-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
(2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107181761
1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160664
(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
1-(4-butylphenyl)butan-1-ol
CID 61088483
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
CID 107192287
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanol
CID 107181706
1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene
CID 107181911
(4-butylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476100
2-(4-butylphenyl)-2-cyclopropylacetic acid
CID 112508140
(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177011

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol?
The IUPAC name of (4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol (CID 107181582) is (4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol.
What is the SMILES notation for (4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol?
The canonical SMILES for (4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol is CCCCc1ccc(C(O)C2CCCC2(C)C)cc1.
What is the InChIKey of (4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol?
The InChIKey is BEDFLZWVMZQTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-4-5-7-14-9-11-15(12-10-14)17(19)16-8-6-13-18(16,2)3/h9-12,16-17,19H,4-8,13H2,1-3H3.
What are the key properties of (4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol?
(4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol has a molecular weight of 260.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(2,2-dimethylcyclopentyl)methanol is sourced from PubChem (CID 107181582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).