1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid

C19H26O4 — CID 19976886

IUPAC1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CCCCC2)cc1OC1CCCC1
InChIInChI=1S/C19H26O4/c1-22-16-10-9-14(13-17(16)23-15-7-3-4-8-15)19(18(20)21)11-5-2-6-12-19/h9-10,13,15H,2-8,11-12H2,1H3,(H,20,21)
InChIKeyKSJFAKDYJYQNOJ-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.30
Rot. Bonds5

About 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid

1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 19976886) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID19976886
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CCCCC2)cc1OC1CCCC1
InChIInChI=1S/C19H26O4/c1-22-16-10-9-14(13-17(16)23-15-7-3-4-8-15)19(18(20)21)11-5-2-6-12-19/h9-10,13,15H,2-8,11-12H2,1H3,(H,20,21)
InChIKeyKSJFAKDYJYQNOJ-UHFFFAOYSA-N
XLogP4.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493405
1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 117470566
1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117493650
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493404
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117450144
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117490723
1-(4-cyclopropyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117405083
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one
CID 23298807
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid
CID 117495952

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid (CID 19976886) is 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid is COc1ccc(C2(C(=O)O)CCCCC2)cc1OC1CCCC1.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is KSJFAKDYJYQNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-22-16-10-9-14(13-17(16)23-15-7-3-4-8-15)19(18(20)21)11-5-2-6-12-19/h9-10,13,15H,2-8,11-12H2,1H3,(H,20,21).
What are the key properties of 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid?
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 318.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19976886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).