1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid

C21H34O3 — CID 174942592

IUPAC1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid
SMILESCCCC1CCCCC1CCC.O=C(O)CCc1ccc(O)cc1
InChIInChI=1S/C12H24.C9H10O3/c1-3-7-11-9-5-6-10-12(11)8-4-2;10-8-4-1-7(2-5-8)3-6-9(11)12/h11-12H,3-10H2,1-2H3;1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyUTYYKOOCUOUUIV-UHFFFAOYSA-N
MW334.50 g/mol
LogP5.80
Rot. Bonds7

About 1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid

1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid (PubChem CID 174942592) has the molecular formula C21H34O3 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid
PubChem CID174942592
Molecular FormulaC21H34O3
Molecular Weight334.50 g/mol
Exact Mass334.25
IUPAC Name1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid
SMILESCCCC1CCCCC1CCC.O=C(O)CCc1ccc(O)cc1
InChIInChI=1S/C12H24.C9H10O3/c1-3-7-11-9-5-6-10-12(11)8-4-2;10-8-4-1-7(2-5-8)3-6-9(11)12/h11-12H,3-10H2,1-2H3;1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyUTYYKOOCUOUUIV-UHFFFAOYSA-N
XLogP5.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 822003
CID 175200030
CID 175200030
tert-butyl carbamate;3-(4-hydroxyphenyl)propanoic acid
CID 145067130
3-[4-[1,1-bis(4-hydroxyphenyl)hex-1-en-2-yl]phenyl]propanoic acid
CID 69293174
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
4-butylphenol;propanoic acid
CID 70308169
3-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758629
cyclohexyl 3-(4-hydroxyphenyl)propanoate
CID 13086547
1-(4-hydroxyphenyl)heptan-3-one
CID 154262256
3-(3-bromo-4-cyclopentylphenyl)propanoic acid
CID 117478585
3-(4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)prop-2-enoic acid
CID 70212366

Frequently Asked Questions

What is the IUPAC name of 1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid (CID 174942592) is 1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid is CCCC1CCCCC1CCC.O=C(O)CCc1ccc(O)cc1.
What is the InChIKey of 1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is UTYYKOOCUOUUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C9H10O3/c1-3-7-11-9-5-6-10-12(11)8-4-2;10-8-4-1-7(2-5-8)3-6-9(11)12/h11-12H,3-10H2,1-2H3;1-2,4-5,10H,3,6H2,(H,11,12).
What are the key properties of 1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid?
1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 334.50 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipropylcyclohexane;3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 174942592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).