1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene

C29H24O3 — CID 174408261

IUPAC1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene
SMILESC1=CC2=C(CC1)CCc1c2ccc2ccccc12.O=C(O)c1ccc2ccccc2c1O
InChIInChI=1S/C18H16.C11H8O3/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1,3-5,7-9,11H,2,6,10,12H2;1-6,12H,(H,13,14)
InChIKeyJHSFDYCOOJOVHP-UHFFFAOYSA-N
MW420.51 g/mol
LogP7.13
Rot. Bonds1

About 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene

1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene (PubChem CID 174408261) has the molecular formula C29H24O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene
PubChem CID174408261
Molecular FormulaC29H24O3
Molecular Weight420.51 g/mol
Exact Mass420.17
IUPAC Name1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene
SMILESC1=CC2=C(CC1)CCc1c2ccc2ccccc12.O=C(O)c1ccc2ccccc2c1O
InChIInChI=1S/C18H16.C11H8O3/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1,3-5,7-9,11H,2,6,10,12H2;1-6,12H,(H,13,14)
InChIKeyJHSFDYCOOJOVHP-UHFFFAOYSA-N
XLogP7.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol
CID 175438347
1,2,11,12-tetrahydrochrysene;5,5,8,8-tetramethylnaphthalene-2-carboxylic acid
CID 174400538
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285
4,5-dihydro-1,3-oxazole;1,2,11,12-tetrahydrochrysene
CID 174610668
cinnoline;1,2,11,12-tetrahydrochrysene
CID 174316438
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride
CID 174697585
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712080
1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712744
(2S)-2-amino-3-[2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-yl]oxypentanedioic acid
CID 174367329
naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol
CID 174707702
7-ethyl-1,2,11,12-tetrahydrochrysene
CID 174435742
1,2,11,12-tetrahydrochrysene;5,5,8,8-tetramethylnaphthalene-2-carbaldehyde
CID 174339249

Frequently Asked Questions

What is the IUPAC name of 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene?
The IUPAC name of 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene (CID 174408261) is 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene is C1=CC2=C(CC1)CCc1c2ccc2ccccc12.O=C(O)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene?
The InChIKey is JHSFDYCOOJOVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C11H8O3/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1,3-5,7-9,11H,2,6,10,12H2;1-6,12H,(H,13,14).
What are the key properties of 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene?
1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene has a molecular weight of 420.51 g/mol, XLogP of 7.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174408261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).