3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

C19H20O3 — CID 83956089

IUPAC3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESO=C(O)C(Cc1cccc(O)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H20O3/c20-17-7-3-4-13(10-17)11-18(19(21)22)16-9-8-14-5-1-2-6-15(14)12-16/h3-4,7-10,12,18,20H,1-2,5-6,11H2,(H,21,22)
InChIKeyUVHZXTUAZVWQEK-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.68
Rot. Bonds4

About 3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (PubChem CID 83956089) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
PubChem CID83956089
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESO=C(O)C(Cc1cccc(O)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H20O3/c20-17-7-3-4-13(10-17)11-18(19(21)22)16-9-8-14-5-1-2-6-15(14)12-16/h3-4,7-10,12,18,20H,1-2,5-6,11H2,(H,21,22)
InChIKeyUVHZXTUAZVWQEK-UHFFFAOYSA-N
XLogP3.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83953183
3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956018
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 124549291
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid
CID 82082804
3-[4-(dimethylamino)phenyl]-2-(3-hydroxyphenyl)propanoic acid
CID 83955823
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 119272187
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 62503763
(2S)-3-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)propanoic acid
CID 138550489

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (CID 83956089) is 3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is O=C(O)C(Cc1cccc(O)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The InChIKey is UVHZXTUAZVWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c20-17-7-3-4-13(10-17)11-18(19(21)22)16-9-8-14-5-1-2-6-15(14)12-16/h3-4,7-10,12,18,20H,1-2,5-6,11H2,(H,21,22).
What are the key properties of 3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 83956089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).