1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene

C21H32O — CID 160519985

IUPAC1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene
SMILESCC(CCc1ccccc1OCC1CC1)CC1CCCCC1
InChIInChI=1S/C21H32O/c1-17(15-18-7-3-2-4-8-18)11-14-20-9-5-6-10-21(20)22-16-19-12-13-19/h5-6,9-10,17-19H,2-4,7-8,11-16H2,1H3
InChIKeyQUDLDWWJIKKCRU-UHFFFAOYSA-N
MW300.49 g/mol
LogP6.01
Rot. Bonds8

About 1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene

1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene (PubChem CID 160519985) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene.

Molecular Properties

Compound Name1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene
PubChem CID160519985
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene
SMILESCC(CCc1ccccc1OCC1CC1)CC1CCCCC1
InChIInChI=1S/C21H32O/c1-17(15-18-7-3-2-4-8-18)11-14-20-9-5-6-10-21(20)22-16-19-12-13-19/h5-6,9-10,17-19H,2-4,7-8,11-16H2,1H3
InChIKeyQUDLDWWJIKKCRU-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene
CID 158571667
1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol
CID 160819489
methyl 4-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]butanoate
CID 158877214
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
CID 146001154
1-(bromomethyl)-2-(cyclopentylmethoxy)benzene
CID 61343019
3-[3-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]propyl]-1H-benzimidazol-2-one
CID 161264480
1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene
CID 159673721
1-(bromomethyl)-2-(cyclobutylmethoxy)benzene
CID 58083522
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
[2-(cyclohexylmethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 22678452
[2-(cyclobutylmethoxy)phenyl]methanol
CID 58083532
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene?
The IUPAC name of 1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene (CID 160519985) is 1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene.
What is the SMILES notation for 1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene?
The canonical SMILES for 1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene is CC(CCc1ccccc1OCC1CC1)CC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene?
The InChIKey is QUDLDWWJIKKCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O/c1-17(15-18-7-3-2-4-8-18)11-14-20-9-5-6-10-21(20)22-16-19-12-13-19/h5-6,9-10,17-19H,2-4,7-8,11-16H2,1H3.
What are the key properties of 1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene?
1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene has a molecular weight of 300.49 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene is sourced from PubChem (CID 160519985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).