3-benzyl-5-ethylnonan-3-ol

C18H30O — CID 79007570

IUPAC3-benzyl-5-ethylnonan-3-ol
SMILESCCCCC(CC)CC(O)(CC)Cc1ccccc1
InChIInChI=1S/C18H30O/c1-4-7-11-16(5-2)14-18(19,6-3)15-17-12-9-8-10-13-17/h8-10,12-13,16,19H,4-7,11,14-15H2,1-3H3
InChIKeySVOROBSUYMIPHU-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.98
Rot. Bonds9

About 3-benzyl-5-ethylnonan-3-ol

3-benzyl-5-ethylnonan-3-ol (PubChem CID 79007570) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-benzyl-5-ethylnonan-3-ol.

Molecular Properties

Compound Name3-benzyl-5-ethylnonan-3-ol
PubChem CID79007570
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name3-benzyl-5-ethylnonan-3-ol
SMILESCCCCC(CC)CC(O)(CC)Cc1ccccc1
InChIInChI=1S/C18H30O/c1-4-7-11-16(5-2)14-18(19,6-3)15-17-12-9-8-10-13-17/h8-10,12-13,16,19H,4-7,11,14-15H2,1-3H3
InChIKeySVOROBSUYMIPHU-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-5-ethylnonan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-5-methylhexan-3-ol
CID 79008448
azane;3-benzylpentan-3-ol
CID 173295411
8-benzylpentadecan-8-ol
CID 13016086
3-benzyl-5-ethyl-3-(4-methylcyclohexyl)nonanoic acid
CID 121349071
1-phenylpentane-2,2-diol
CID 56635388
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
CID 79447728
3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol
CID 66432776
2-benzyl-2-(2-ethylhexyl)hexanedioic acid;2,2-bis(8-methylnonyl)hexanedioic acid
CID 67739535
4-ethyl-2-(2-methoxyphenyl)octan-2-ol
CID 63407220
3-ethylundecylbenzene
CID 101046196
(3S)-3-benzylheptan-1-ol
CID 15214037

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-ethylnonan-3-ol?
The IUPAC name of 3-benzyl-5-ethylnonan-3-ol (CID 79007570) is 3-benzyl-5-ethylnonan-3-ol.
What is the SMILES notation for 3-benzyl-5-ethylnonan-3-ol?
The canonical SMILES for 3-benzyl-5-ethylnonan-3-ol is CCCCC(CC)CC(O)(CC)Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-ethylnonan-3-ol?
The InChIKey is SVOROBSUYMIPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-4-7-11-16(5-2)14-18(19,6-3)15-17-12-9-8-10-13-17/h8-10,12-13,16,19H,4-7,11,14-15H2,1-3H3.
What are the key properties of 3-benzyl-5-ethylnonan-3-ol?
3-benzyl-5-ethylnonan-3-ol has a molecular weight of 262.44 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-ethylnonan-3-ol is sourced from PubChem (CID 79007570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).