1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid

C17H21ClO3 — CID 117493653

IUPAC1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Cl)ccc2OCC2CC2)CCCCC1
InChIInChI=1S/C17H21ClO3/c18-13-6-7-15(21-11-12-4-5-12)14(10-13)17(16(19)20)8-2-1-3-9-17/h6-7,10,12H,1-5,8-9,11H2,(H,19,20)
InChIKeyZNCVBXFRIPOPOL-UHFFFAOYSA-N
MW308.80 g/mol
LogP4.42
Rot. Bonds5

About 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid

1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 117493653) has the molecular formula C17H21ClO3 and a molecular weight of 308.80 g/mol. Its IUPAC name is 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid
PubChem CID117493653
Molecular FormulaC17H21ClO3
Molecular Weight308.80 g/mol
Exact Mass308.12
IUPAC Name1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Cl)ccc2OCC2CC2)CCCCC1
InChIInChI=1S/C17H21ClO3/c18-13-6-7-15(21-11-12-4-5-12)14(10-13)17(16(19)20)8-2-1-3-9-17/h6-7,10,12H,1-5,8-9,11H2,(H,19,20)
InChIKeyZNCVBXFRIPOPOL-UHFFFAOYSA-N
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.80
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(cyclobutylmethoxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493677
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
CID 117367982
1-[3-(4-chlorophenyl)-4-(cyclopropylmethoxy)phenyl]cyclobutane-1-carboxylic acid
CID 66940685
4-chloro-1-(cyclopropylmethoxy)-2-(1-isocyanatocyclopentyl)benzene
CID 117471217
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
1-(5-chloro-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117450845
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117420672
2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine
CID 117449114
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 83711945

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid (CID 117493653) is 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid is O=C(O)C1(c2cc(Cl)ccc2OCC2CC2)CCCCC1.
What is the InChIKey of 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZNCVBXFRIPOPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO3/c18-13-6-7-15(21-11-12-4-5-12)14(10-13)17(16(19)20)8-2-1-3-9-17/h6-7,10,12H,1-5,8-9,11H2,(H,19,20).
What are the key properties of 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid?
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 308.80 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117493653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).