4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid

C17H24O3 — CID 171115848

IUPAC4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCCOc1ccc(C)cc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24O3/c1-3-10-20-16-9-4-12(2)11-15(16)13-5-7-14(8-6-13)17(18)19/h4,9,11,13-14H,3,5-8,10H2,1-2H3,(H,18,19)
InChIKeyJDVYTLQRNOIMIR-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.14
Rot. Bonds5

About 4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid

4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 171115848) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID171115848
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCCCOc1ccc(C)cc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24O3/c1-3-10-20-16-9-4-12(2)11-15(16)13-5-7-14(8-6-13)17(18)19/h4,9,11,13-14H,3,5-8,10H2,1-2H3,(H,18,19)
InChIKeyJDVYTLQRNOIMIR-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 83652520
[3-chloro-2-[(2-cyclopropyl-4-methylphenoxy)methyl]phenyl] propanoate
CID 122645858
3-(5-methyl-2-propoxyphenyl)prop-2-enoic acid
CID 77011388
4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 171115863
4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
CID 171115881
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397
3-(3-bromo-4-propoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551813
[2-[(2-cyclopropyl-4-methylphenoxy)methyl]-3-(hydroxymethyl)phenyl] propanoate
CID 122645867
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
4-(4-butoxyphenyl)cyclohexane-1-carboxylic acid
CID 56638920
4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid (CID 171115848) is 4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid is CCCOc1ccc(C)cc1C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is JDVYTLQRNOIMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-10-20-16-9-4-12(2)11-15(16)13-5-7-14(8-6-13)17(18)19/h4,9,11,13-14H,3,5-8,10H2,1-2H3,(H,18,19).
What are the key properties of 4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid?
4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-propoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 171115848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).