1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol

C11H13ClO2 — CID 117303343

IUPAC1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
SMILESCOc1cc(C2(O)CC2)cc(Cl)c1C
InChIInChI=1S/C11H13ClO2/c1-7-9(12)5-8(6-10(7)14-2)11(13)3-4-11/h5-6,13H,3-4H2,1-2H3
InChIKeyHGCVWJSDFLQGFM-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.64
Rot. Bonds2

About 1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol

1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol (PubChem CID 117303343) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
PubChem CID117303343
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol
SMILESCOc1cc(C2(O)CC2)cc(Cl)c1C
InChIInChI=1S/C11H13ClO2/c1-7-9(12)5-8(6-10(7)14-2)11(13)3-4-11/h5-6,13H,3-4H2,1-2H3
InChIKeyHGCVWJSDFLQGFM-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol
CID 117326102
2-chloro-5-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84783596
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
4-chloro-2-(1-hydroxycyclopropyl)-6-methoxy-3-methylphenol
CID 117329541
1-[3,5-dimethoxy-4-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117349197
8-(4-chloro-3-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819278
1,5-dichloro-3-methoxy-2-methylbenzene
CID 23462582
1-(4-methoxy-3,5-dimethylphenyl)cyclopropan-1-ol
CID 117283028
1-(7-methoxy-3-methyl-1H-indol-5-yl)cyclopropan-1-ol
CID 117309477
1-(3-chloro-4-methylphenyl)cyclopropan-1-ol
CID 63195490
1-(4-chloro-3-methoxyphenyl)-3,3-dimethylcyclohexan-1-ol
CID 79700558
N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117290406

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol (CID 117303343) is 1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol is COc1cc(C2(O)CC2)cc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol?
The InChIKey is HGCVWJSDFLQGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-7-9(12)5-8(6-10(7)14-2)11(13)3-4-11/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol?
1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol has a molecular weight of 212.68 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methoxy-4-methylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117303343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).