4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid

C18H16O5 — CID 56622794

IUPAC4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid
SMILESO=C(O)c1ccc(OC(=O)C2CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C18H16O5/c19-13-6-9-15-12(10-13)2-1-3-16(15)18(22)23-14-7-4-11(5-8-14)17(20)21/h4-10,16,19H,1-3H2,(H,20,21)
InChIKeyHYAYACFHXVQLCT-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.12
Rot. Bonds3

About 4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid

4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid (PubChem CID 56622794) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid.

Molecular Properties

Compound Name4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid
PubChem CID56622794
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid
SMILESO=C(O)c1ccc(OC(=O)C2CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C18H16O5/c19-13-6-9-15-12(10-13)2-1-3-16(15)18(22)23-14-7-4-11(5-8-14)17(20)21/h4-10,16,19H,1-3H2,(H,20,21)
InChIKeyHYAYACFHXVQLCT-UHFFFAOYSA-N
XLogP3.12
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid;methyl 5-hydroxy-2,3-dihydro-1H-indene-1-carboxylate
CID 161190544
ethane-1,2-diol;4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;terephthalic acid
CID 90113672
[4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 13277315
[4-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethoxycarbonyl]phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 13136792
4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
CID 107684568
4-fluoro-3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682090
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
5-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105437541
(1-carbamoyl-3-phenylpiperidin-4-yl) 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 90930404
5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;chloromethane
CID 159655491
methanesulfonic acid;[4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 13277316
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid?
The IUPAC name of 4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid (CID 56622794) is 4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid.
What is the SMILES notation for 4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid?
The canonical SMILES for 4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid is O=C(O)c1ccc(OC(=O)C2CCCc3cc(O)ccc32)cc1.
What is the InChIKey of 4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid?
The InChIKey is HYAYACFHXVQLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c19-13-6-9-15-12(10-13)2-1-3-16(15)18(22)23-14-7-4-11(5-8-14)17(20)21/h4-10,16,19H,1-3H2,(H,20,21).
What are the key properties of 4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid?
4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid has a molecular weight of 312.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid is sourced from PubChem (CID 56622794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).