1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid

C14H15ClO3 — CID 117420672

IUPAC1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Cl)cc(OCC3CC3)c2)CC1
InChIInChI=1S/C14H15ClO3/c15-11-5-10(14(3-4-14)13(16)17)6-12(7-11)18-8-9-1-2-9/h5-7,9H,1-4,8H2,(H,16,17)
InChIKeyVPTJPBONXKFVHQ-UHFFFAOYSA-N
MW266.72 g/mol
LogP3.24
Rot. Bonds5

About 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid

1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117420672) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117420672
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Cl)cc(OCC3CC3)c2)CC1
InChIInChI=1S/C14H15ClO3/c15-11-5-10(14(3-4-14)13(16)17)6-12(7-11)18-8-9-1-2-9/h5-7,9H,1-4,8H2,(H,16,17)
InChIKeyVPTJPBONXKFVHQ-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxoacetic acid
CID 117389704
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone
CID 84689444
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
CID 117382912
1-[3-(4-chlorophenyl)-4-(cyclopropylmethoxy)phenyl]cyclobutane-1-carboxylic acid
CID 66940685
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 117493653
[1-[3-chloro-5-(cyclobutylmethoxy)phenyl]cyclohexyl]methanamine
CID 117492823
5-[3-chloro-5-(cyclopropylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117473772
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493677
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
CID 117367982
2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119333514
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid (CID 117420672) is 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(Cl)cc(OCC3CC3)c2)CC1.
What is the InChIKey of 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is VPTJPBONXKFVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c15-11-5-10(14(3-4-14)13(16)17)6-12(7-11)18-8-9-1-2-9/h5-7,9H,1-4,8H2,(H,16,17).
What are the key properties of 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid?
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 266.72 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(cyclopropylmethoxy)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117420672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).