4-methyl-1-phenylheptan-4-ol

C14H22O — CID 67874665

IUPAC4-methyl-1-phenylheptan-4-ol
SMILESCCCC(C)(O)CCCc1ccccc1
InChIInChI=1S/C14H22O/c1-3-11-14(2,15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,15H,3,7,10-12H2,1-2H3
InChIKeyGGHPPDUTYLUNDJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.56
Rot. Bonds6

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

4-methyl-1-phenylheptan-4-ol (PubChem CID 67874665) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-methyl-1-phenylheptan-4-ol.

Molecular Properties

Compound Name4-methyl-1-phenylheptan-4-ol
PubChem CID67874665
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-methyl-1-phenylheptan-4-ol
SMILESCCCC(C)(O)CCCc1ccccc1
InChIInChI=1S/C14H22O/c1-3-11-14(2,15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,15H,3,7,10-12H2,1-2H3
InChIKeyGGHPPDUTYLUNDJ-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(chloromethyl)-4-methylheptyl]benzene
CID 66036487
2-methyl-6-phenylhexan-2-ol
CID 12716611
1-(2-methoxyethylamino)-3-methyl-6-phenylhexan-3-ol
CID 66002686
2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
CID 55107021
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
3-ethyl-2-methyl-6-phenylhexan-3-ol
CID 65146545
butylbenzene;hydroxylamine
CID 175142403
hexylbenzene;hydrogen peroxide
CID 90001206
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
2-ethoxy-6-phenylhexan-2-ol
CID 140824356

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenylheptan-4-ol?
The IUPAC name of 4-methyl-1-phenylheptan-4-ol (CID 67874665) is 4-methyl-1-phenylheptan-4-ol.
What is the SMILES notation for 4-methyl-1-phenylheptan-4-ol?
The canonical SMILES for 4-methyl-1-phenylheptan-4-ol is CCCC(C)(O)CCCc1ccccc1.
What is the InChIKey of 4-methyl-1-phenylheptan-4-ol?
The InChIKey is GGHPPDUTYLUNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-3-11-14(2,15)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,15H,3,7,10-12H2,1-2H3.
What are the key properties of 4-methyl-1-phenylheptan-4-ol?
4-methyl-1-phenylheptan-4-ol has a molecular weight of 206.33 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenylheptan-4-ol is sourced from PubChem (CID 67874665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).