1-(3-methylphenyl)nonan-3-ol

C16H26O — CID 105085389

IUPAC1-(3-methylphenyl)nonan-3-ol
SMILESCCCCCCC(O)CCc1cccc(C)c1
InChIInChI=1S/C16H26O/c1-3-4-5-6-10-16(17)12-11-15-9-7-8-14(2)13-15/h7-9,13,16-17H,3-6,10-12H2,1-2H3
InChIKeyCYWKLQUANDWZNH-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.26
Rot. Bonds8

About 1-(3-methylphenyl)nonan-3-ol

1-(3-methylphenyl)nonan-3-ol (PubChem CID 105085389) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(3-methylphenyl)nonan-3-ol.

Molecular Properties

Compound Name1-(3-methylphenyl)nonan-3-ol
PubChem CID105085389
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(3-methylphenyl)nonan-3-ol
SMILESCCCCCCC(O)CCc1cccc(C)c1
InChIInChI=1S/C16H26O/c1-3-4-5-6-10-16(17)12-11-15-9-7-8-14(2)13-15/h7-9,13,16-17H,3-6,10-12H2,1-2H3
InChIKeyCYWKLQUANDWZNH-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)dodecan-3-ol
CID 105084894
6-(3-methylphenyl)hexan-3-ol
CID 64513249
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
ethane;1-methyl-3-pentylbenzene
CID 143267779
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-ethoxy-4-(3-methylphenyl)butan-2-ol
CID 105111845
1-phenylheptan-3-ol
CID 10420110
1-(2-methylphenyl)decan-3-ol
CID 105085012
1-pyridin-3-ylundecan-3-ol
CID 105085819
1-(3-methylphenyl)decan-1-ol
CID 63411280
1-(3-methylphenyl)sulfanylundecan-2-ol
CID 66086586
1-butyl-3-methylbenzene;ethane;propane
CID 142068173

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)nonan-3-ol?
The IUPAC name of 1-(3-methylphenyl)nonan-3-ol (CID 105085389) is 1-(3-methylphenyl)nonan-3-ol.
What is the SMILES notation for 1-(3-methylphenyl)nonan-3-ol?
The canonical SMILES for 1-(3-methylphenyl)nonan-3-ol is CCCCCCC(O)CCc1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)nonan-3-ol?
The InChIKey is CYWKLQUANDWZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-3-4-5-6-10-16(17)12-11-15-9-7-8-14(2)13-15/h7-9,13,16-17H,3-6,10-12H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)nonan-3-ol?
1-(3-methylphenyl)nonan-3-ol has a molecular weight of 234.38 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)nonan-3-ol is sourced from PubChem (CID 105085389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).