1-(4-cyclopropylphenyl)-3-methylhexan-1-ol

C16H24O — CID 79980578

IUPAC1-(4-cyclopropylphenyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C16H24O/c1-3-4-12(2)11-16(17)15-9-7-14(8-10-15)13-5-6-13/h7-10,12-13,16-17H,3-6,11H2,1-2H3
InChIKeyNPIZBCALHWWGNK-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.42
Rot. Bonds6

About 1-(4-cyclopropylphenyl)-3-methylhexan-1-ol

1-(4-cyclopropylphenyl)-3-methylhexan-1-ol (PubChem CID 79980578) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-3-methylhexan-1-ol.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-3-methylhexan-1-ol
PubChem CID79980578
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(4-cyclopropylphenyl)-3-methylhexan-1-ol
SMILESCCCC(C)CC(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C16H24O/c1-3-4-12(2)11-16(17)15-9-7-14(8-10-15)13-5-6-13/h7-10,12-13,16-17H,3-6,11H2,1-2H3
InChIKeyNPIZBCALHWWGNK-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[1-(4-hydroxyphenyl)-3-methylhexyl]cyclohexyl]phenol
CID 139945023
1-(4-cyclopropylphenyl)octan-1-ol
CID 79980004
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970
3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408
3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol
CID 104823063
1-[4-(3-fluorocyclopentyl)phenyl]hexan-1-ol
CID 70970008
1-(3-bromo-4-fluorophenyl)-3-methylhexan-1-ol
CID 65147954
1-(4-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247193
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanol
CID 105129139
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980174

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-3-methylhexan-1-ol?
The IUPAC name of 1-(4-cyclopropylphenyl)-3-methylhexan-1-ol (CID 79980578) is 1-(4-cyclopropylphenyl)-3-methylhexan-1-ol.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-3-methylhexan-1-ol?
The canonical SMILES for 1-(4-cyclopropylphenyl)-3-methylhexan-1-ol is CCCC(C)CC(O)c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-3-methylhexan-1-ol?
The InChIKey is NPIZBCALHWWGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-4-12(2)11-16(17)15-9-7-14(8-10-15)13-5-6-13/h7-10,12-13,16-17H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-cyclopropylphenyl)-3-methylhexan-1-ol?
1-(4-cyclopropylphenyl)-3-methylhexan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-3-methylhexan-1-ol is sourced from PubChem (CID 79980578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).