7-methyl-6-phenylmethoxynonan-1-ol

C17H28O2 — CID 174832736

IUPAC7-methyl-6-phenylmethoxynonan-1-ol
SMILESCCC(C)C(CCCCCO)OCc1ccccc1
InChIInChI=1S/C17H28O2/c1-3-15(2)17(12-8-5-9-13-18)19-14-16-10-6-4-7-11-16/h4,6-7,10-11,15,17-18H,3,5,8-9,12-14H2,1-2H3
InChIKeyPHJKWJQLJGBWCC-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.17
Rot. Bonds10

About 7-methyl-6-phenylmethoxynonan-1-ol

7-methyl-6-phenylmethoxynonan-1-ol (PubChem CID 174832736) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 7-methyl-6-phenylmethoxynonan-1-ol.

Molecular Properties

Compound Name7-methyl-6-phenylmethoxynonan-1-ol
PubChem CID174832736
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name7-methyl-6-phenylmethoxynonan-1-ol
SMILESCCC(C)C(CCCCCO)OCc1ccccc1
InChIInChI=1S/C17H28O2/c1-3-15(2)17(12-8-5-9-13-18)19-14-16-10-6-4-7-11-16/h4,6-7,10-11,15,17-18H,3,5,8-9,12-14H2,1-2H3
InChIKeyPHJKWJQLJGBWCC-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
4-phenylmethoxynonadecan-1-ol
CID 15735676
(4S)-5-methyl-4-phenylmethoxyheptan-2-one
CID 146230223
(2S)-2-phenylmethoxyhenicosane-1,3-diol
CID 70526440
3,4-bis(phenylmethoxy)pentan-1-ol
CID 123654711
(4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol
CID 134846538
(2S,3R)-3-phenylmethoxy-2-tetradecyloctadecanoic acid
CID 15977400
(3R,4S)-4-methyl-3-phenylmethoxyoctanoic acid
CID 69261868
1-(2-phenylmethoxyoctadecan-3-yloxy)propan-1-ol
CID 54196752
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-phenylmethoxynonan-1-ol?
The IUPAC name of 7-methyl-6-phenylmethoxynonan-1-ol (CID 174832736) is 7-methyl-6-phenylmethoxynonan-1-ol.
What is the SMILES notation for 7-methyl-6-phenylmethoxynonan-1-ol?
The canonical SMILES for 7-methyl-6-phenylmethoxynonan-1-ol is CCC(C)C(CCCCCO)OCc1ccccc1.
What is the InChIKey of 7-methyl-6-phenylmethoxynonan-1-ol?
The InChIKey is PHJKWJQLJGBWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-15(2)17(12-8-5-9-13-18)19-14-16-10-6-4-7-11-16/h4,6-7,10-11,15,17-18H,3,5,8-9,12-14H2,1-2H3.
What are the key properties of 7-methyl-6-phenylmethoxynonan-1-ol?
7-methyl-6-phenylmethoxynonan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-phenylmethoxynonan-1-ol is sourced from PubChem (CID 174832736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).