1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol

C22H36O2 — CID 160819489

IUPAC1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol
SMILESCC(CCc1ccccc1OCC(O)C(C)C)CC1CCCCC1
InChIInChI=1S/C22H36O2/c1-17(2)21(23)16-24-22-12-8-7-11-20(22)14-13-18(3)15-19-9-5-4-6-10-19/h7-8,11-12,17-19,21,23H,4-6,9-10,13-16H2,1-3H3
InChIKeySFIQYYYENZUBIS-UHFFFAOYSA-N
MW332.53 g/mol
LogP5.62
Rot. Bonds9

About 1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol

1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol (PubChem CID 160819489) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol
PubChem CID160819489
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol
SMILESCC(CCc1ccccc1OCC(O)C(C)C)CC1CCCCC1
InChIInChI=1S/C22H36O2/c1-17(2)21(23)16-24-22-12-8-7-11-20(22)14-13-18(3)15-19-9-5-4-6-10-19/h7-8,11-12,17-19,21,23H,4-6,9-10,13-16H2,1-3H3
InChIKeySFIQYYYENZUBIS-UHFFFAOYSA-N
XLogP5.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexyl-3-methylbutyl)-2-(cyclopropylmethoxy)benzene
CID 160519985
1-(4-cyclohexyl-3-methylbutyl)-2-phenylmethoxybenzene
CID 158571667
methyl 4-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]butanoate
CID 158877214
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-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
CID 146001154
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 103158943
1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol
CID 111421969
1-(3-cyclohexyloxy-5-methylhex-4-enyl)-2-phenylmethoxybenzene
CID 24881576
1-(3-methylhexyl)-2-[2-(3-methylhexyl)phenoxy]benzene
CID 70615491

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol?
The IUPAC name of 1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol (CID 160819489) is 1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol?
The canonical SMILES for 1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol is CC(CCc1ccccc1OCC(O)C(C)C)CC1CCCCC1.
What is the InChIKey of 1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol?
The InChIKey is SFIQYYYENZUBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2/c1-17(2)21(23)16-24-22-12-8-7-11-20(22)14-13-18(3)15-19-9-5-4-6-10-19/h7-8,11-12,17-19,21,23H,4-6,9-10,13-16H2,1-3H3.
What are the key properties of 1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol?
1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol has a molecular weight of 332.53 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]-3-methylbutan-2-ol is sourced from PubChem (CID 160819489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).