1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol

C20H30O — CID 116505382

IUPAC1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc(C3CCC3)cc2)CC1
InChIInChI=1S/C20H30O/c1-15(2)16-7-4-13-20(21,14-12-16)19-10-8-18(9-11-19)17-5-3-6-17/h8-11,15-17,21H,3-7,12-14H2,1-2H3
InChIKeyXUJFNGDIKVAYCB-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.38
Rot. Bonds3

About 1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol

1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol (PubChem CID 116505382) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
PubChem CID116505382
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc(C3CCC3)cc2)CC1
InChIInChI=1S/C20H30O/c1-15(2)16-7-4-13-20(21,14-12-16)19-10-8-18(9-11-19)17-5-3-6-17/h8-11,15-17,21H,3-7,12-14H2,1-2H3
InChIKeyXUJFNGDIKVAYCB-UHFFFAOYSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
1-(4-ethylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090466
1-(4-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406811
4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
CID 116505390
1-(4-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 55105917
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449675
4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol
CID 81196652
1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
CID 117365932
3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol
CID 116505430
1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090612
4-(3-propan-2-ylcyclohexyl)phenol
CID 139438359

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol?
The IUPAC name of 1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol (CID 116505382) is 1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol?
The canonical SMILES for 1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol is CC(C)C1CCCC(O)(c2ccc(C3CCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol?
The InChIKey is XUJFNGDIKVAYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-15(2)16-7-4-13-20(21,14-12-16)19-10-8-18(9-11-19)17-5-3-6-17/h8-11,15-17,21H,3-7,12-14H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol?
1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol is sourced from PubChem (CID 116505382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).