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

C17H17ClO2 — CID 117466511

IUPAC1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
SMILESCc1cc(C2(O)CC2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C17H17ClO2/c1-12-9-14(17(19)7-8-17)10-15(18)16(12)20-11-13-5-3-2-4-6-13/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyUPAPYSVIYJMMMP-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.21
Rot. Bonds4

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

1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol (PubChem CID 117466511) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
PubChem CID117466511
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
SMILESCc1cc(C2(O)CC2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C17H17ClO2/c1-12-9-14(17(19)7-8-17)10-15(18)16(12)20-11-13-5-3-2-4-6-13/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyUPAPYSVIYJMMMP-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117445197
3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 117469838
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117471245
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117484065
3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
1-(3-chloro-4-methylphenyl)cyclopropan-1-ol
CID 63195490
1-fluoro-5-(1-isocyanatocyclobutyl)-3-methyl-2-phenylmethoxybenzene
CID 117496223
4-chloro-2-methyl-3-phenylmethoxypyridin-1-ium chloride
CID 70353014

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol (CID 117466511) is 1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol is Cc1cc(C2(O)CC2)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol?
The InChIKey is UPAPYSVIYJMMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-12-9-14(17(19)7-8-17)10-15(18)16(12)20-11-13-5-3-2-4-6-13/h2-6,9-10,19H,7-8,11H2,1H3.
What are the key properties of 1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol?
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol has a molecular weight of 288.77 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117466511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).