3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol

C12H13ClO2 — CID 65174652

IUPAC3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol
SMILESCOc1ccc(Cl)cc1C1=CC(O)CC1
InChIInChI=1S/C12H13ClO2/c1-15-12-5-3-9(13)7-11(12)8-2-4-10(14)6-8/h3,5-7,10,14H,2,4H2,1H3
InChIKeyMJERXKLUWVJXQH-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.89
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol

3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol (PubChem CID 65174652) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol
PubChem CID65174652
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol
SMILESCOc1ccc(Cl)cc1C1=CC(O)CC1
InChIInChI=1S/C12H13ClO2/c1-15-12-5-3-9(13)7-11(12)8-2-4-10(14)6-8/h3,5-7,10,14H,2,4H2,1H3
InChIKeyMJERXKLUWVJXQH-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107383616
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CID 74251022
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1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 134629660
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
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7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82541544
7-(5-chloro-2-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepine
CID 91468351
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
5-chloro-2-methoxybenzoate
CID 6933314
4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene
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CID 116962443

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol (CID 65174652) is 3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol is COc1ccc(Cl)cc1C1=CC(O)CC1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol?
The InChIKey is MJERXKLUWVJXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-15-12-5-3-9(13)7-11(12)8-2-4-10(14)6-8/h3,5-7,10,14H,2,4H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol?
3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol has a molecular weight of 224.69 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 65174652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).