[3-(3-chloropropyl)-2-methylphenyl]methanol

C11H15ClO — CID 134621907

IUPAC[3-(3-chloropropyl)-2-methylphenyl]methanol
SMILESCc1c(CO)cccc1CCCCl
InChIInChI=1S/C11H15ClO/c1-9-10(6-3-7-12)4-2-5-11(9)8-13/h2,4-5,13H,3,6-8H2,1H3
InChIKeyBLUTVQVCVOGMTM-UHFFFAOYSA-N
MW198.69 g/mol
LogP2.66
Rot. Bonds4

About [3-(3-chloropropyl)-2-methylphenyl]methanol

[3-(3-chloropropyl)-2-methylphenyl]methanol (PubChem CID 134621907) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is [3-(3-chloropropyl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[3-(3-chloropropyl)-2-methylphenyl]methanol
PubChem CID134621907
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name[3-(3-chloropropyl)-2-methylphenyl]methanol
SMILESCc1c(CO)cccc1CCCCl
InChIInChI=1S/C11H15ClO/c1-9-10(6-3-7-12)4-2-5-11(9)8-13/h2,4-5,13H,3,6-8H2,1H3
InChIKeyBLUTVQVCVOGMTM-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[3-(hydroxymethyl)-2-methylphenyl]methanol
CID 71387319
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
1-(3-chloropropyl)-2-methoxy-3-methylbenzene
CID 135743349
3-(3-chloropropyl)-2-methylpyridine
CID 86128501
4-chloro-1-[3-(hydroxymethyl)-2-methylphenyl]butane-1,2-diol
CID 171893749
7-(3-chloropropyl)-3-methyl-2H-indazole
CID 166949674
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
1-(3-chloropropyl)-2-ethyl-3-iodobenzene
CID 118818907
2-[2-(3-chloropropyl)phenyl]ethanamine
CID 67894995
ethyl 2-bromo-3-(3-chloropropyl)benzoate
CID 134631896
[3-(2-methoxyethoxy)-2-methylphenyl]methanol
CID 67112208
1-(3-bromopropyl)-3-chloro-2-methylbenzene
CID 59407894

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloropropyl)-2-methylphenyl]methanol?
The IUPAC name of [3-(3-chloropropyl)-2-methylphenyl]methanol (CID 134621907) is [3-(3-chloropropyl)-2-methylphenyl]methanol.
What is the SMILES notation for [3-(3-chloropropyl)-2-methylphenyl]methanol?
The canonical SMILES for [3-(3-chloropropyl)-2-methylphenyl]methanol is Cc1c(CO)cccc1CCCCl.
What is the InChIKey of [3-(3-chloropropyl)-2-methylphenyl]methanol?
The InChIKey is BLUTVQVCVOGMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-9-10(6-3-7-12)4-2-5-11(9)8-13/h2,4-5,13H,3,6-8H2,1H3.
What are the key properties of [3-(3-chloropropyl)-2-methylphenyl]methanol?
[3-(3-chloropropyl)-2-methylphenyl]methanol has a molecular weight of 198.69 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloropropyl)-2-methylphenyl]methanol is sourced from PubChem (CID 134621907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).