1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol

C17H24O — CID 117363257

IUPAC1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol
SMILESCC1(C)CCCC(c2cccc(C3(O)CC3)c2)C1
InChIInChI=1S/C17H24O/c1-16(2)8-4-6-14(12-16)13-5-3-7-15(11-13)17(18)9-10-17/h3,5,7,11,14,18H,4,6,8-10,12H2,1-2H3
InChIKeyANNZEVQYXHKHMZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.35
Rot. Bonds2

About 1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol

1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol (PubChem CID 117363257) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol
PubChem CID117363257
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol
SMILESCC1(C)CCCC(c2cccc(C3(O)CC3)c2)C1
InChIInChI=1S/C17H24O/c1-16(2)8-4-6-14(12-16)13-5-3-7-15(11-13)17(18)9-10-17/h3,5,7,11,14,18H,4,6,8-10,12H2,1-2H3
InChIKeyANNZEVQYXHKHMZ-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol
CID 114601509
[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117397255
1-[1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropyl]ethanamine
CID 117431724
1-[3-(3,3-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanone
CID 117402794
8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114601416
1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol
CID 114601365
2-amino-1-[3-(3,3-dimethylcyclohexyl)phenyl]ethanol
CID 117372106
3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol
CID 114601502
1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol
CID 114601384
2-[[3-(3,3-dimethylcyclohexyl)phenyl]methyl]pyrrolidine
CID 117431700
[3-(3,3-dimethylcyclopentyl)phenyl]-methoxyborinic acid
CID 177141420
2-[4-(3,3-dimethylcyclohexyl)phenyl]propan-1-ol
CID 117368882

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol (CID 117363257) is 1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol is CC1(C)CCCC(c2cccc(C3(O)CC3)c2)C1.
What is the InChIKey of 1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol?
The InChIKey is ANNZEVQYXHKHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-16(2)8-4-6-14(12-16)13-5-3-7-15(11-13)17(18)9-10-17/h3,5,7,11,14,18H,4,6,8-10,12H2,1-2H3.
What are the key properties of 1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol?
1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-dimethylcyclohexyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117363257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).