3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol

C17H19ClO2 — CID 117469838

IUPAC3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol
SMILESCc1cc(CCCO)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C17H19ClO2/c1-13-10-15(8-5-9-19)11-16(18)17(13)20-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,19H,5,8-9,12H2,1H3
InChIKeyNRFXFDKUMFHCBN-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.15
Rot. Bonds6

About 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol

3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol (PubChem CID 117469838) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol
PubChem CID117469838
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol
SMILESCc1cc(CCCO)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C17H19ClO2/c1-13-10-15(8-5-9-19)11-16(18)17(13)20-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,19H,5,8-9,12H2,1H3
InChIKeyNRFXFDKUMFHCBN-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117445197
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117471245
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 117466511
2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 82550820
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
3-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)propan-1-amine
CID 117474017
(4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171234071
4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869436
4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
CID 160694879
2-[(3,5-dichloro-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17196015
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol (CID 117469838) is 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol is Cc1cc(CCCO)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is NRFXFDKUMFHCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-13-10-15(8-5-9-19)11-16(18)17(13)20-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,19H,5,8-9,12H2,1H3.
What are the key properties of 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol?
3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 117469838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).