4-methyl-4-phenylheptan-1-ol

C14H22O — CID 90978334

IUPAC4-methyl-4-phenylheptan-1-ol
SMILESCCCC(C)(CCCO)c1ccccc1
InChIInChI=1S/C14H22O/c1-3-10-14(2,11-7-12-15)13-8-5-4-6-9-13/h4-6,8-9,15H,3,7,10-12H2,1-2H3
InChIKeyURNXYWWEIVXGRM-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.52
Rot. Bonds6

About 4-methyl-4-phenylheptan-1-ol

4-methyl-4-phenylheptan-1-ol (PubChem CID 90978334) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-methyl-4-phenylheptan-1-ol.

Molecular Properties

Compound Name4-methyl-4-phenylheptan-1-ol
PubChem CID90978334
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-methyl-4-phenylheptan-1-ol
SMILESCCCC(C)(CCCO)c1ccccc1
InChIInChI=1S/C14H22O/c1-3-10-14(2,11-7-12-15)13-8-5-4-6-9-13/h4-6,8-9,15H,3,7,10-12H2,1-2H3
InChIKeyURNXYWWEIVXGRM-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-phenylpentane-1,5-diol
CID 3019682
6-phenylheptane-1,6-diol
CID 11310303
1,15-dihydroxy-3,13-dimethyl-3,13-diphenylpentadecan-8-one
CID 23431379
3,13-dimethyl-3,13-diphenylpentadecane-1,8,15-triol
CID 59660113
13,13,13-triphenyltridecan-1-ol
CID 150406449
10-phenylnonadecane-1,10-diol
CID 159665017
3,15-dimethyl-3,15-diphenylheptadecane-1,9,17-triol
CID 59660095
3,13-dimethyl-2-methylidene-3,13-diphenylhexadecane-1,8-diol
CID 58097515
7-[(7-hydroxy-4-methyl-4-phenylheptyl)carbamothioylamino]-4-methyl-4-phenylheptanoic acid
CID 11431986
6-bromo-2-methyl-2-phenylhexan-1-ol
CID 11300228
(2R)-6-bromo-2-methyl-2-phenylhexan-1-ol
CID 129363498
5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol
CID 23574812

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenylheptan-1-ol?
The IUPAC name of 4-methyl-4-phenylheptan-1-ol (CID 90978334) is 4-methyl-4-phenylheptan-1-ol.
What is the SMILES notation for 4-methyl-4-phenylheptan-1-ol?
The canonical SMILES for 4-methyl-4-phenylheptan-1-ol is CCCC(C)(CCCO)c1ccccc1.
What is the InChIKey of 4-methyl-4-phenylheptan-1-ol?
The InChIKey is URNXYWWEIVXGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-10-14(2,11-7-12-15)13-8-5-4-6-9-13/h4-6,8-9,15H,3,7,10-12H2,1-2H3.
What are the key properties of 4-methyl-4-phenylheptan-1-ol?
4-methyl-4-phenylheptan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenylheptan-1-ol is sourced from PubChem (CID 90978334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).