naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol

C29H24O2 — CID 174707702

IUPACnaphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol
SMILESO=Cc1ccc2ccccc2c1.Oc1ccc2ccc3c(c2c1)CCC1=C3C=CCC1
InChIInChI=1S/C18H16O.C11H8O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14;12-8-9-5-6-10-3-1-2-4-11(10)7-9/h2,4-5,7-9,11,19H,1,3,6,10H2;1-8H
InChIKeyRNFZQXUPGQMNSU-UHFFFAOYSA-N
MW404.51 g/mol
LogP7.25
Rot. Bonds1

About naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol

naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol (PubChem CID 174707702) has the molecular formula C29H24O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol.

Molecular Properties

Compound Namenaphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol
PubChem CID174707702
Molecular FormulaC29H24O2
Molecular Weight404.51 g/mol
Exact Mass404.18
IUPAC Namenaphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol
SMILESO=Cc1ccc2ccccc2c1.Oc1ccc2ccc3c(c2c1)CCC1=C3C=CCC1
InChIInChI=1S/C18H16O.C11H8O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14;12-8-9-5-6-10-3-1-2-4-11(10)7-9/h2,4-5,7-9,11,19H,1,3,6,10H2;1-8H
InChIKeyRNFZQXUPGQMNSU-UHFFFAOYSA-N
XLogP7.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol?
The IUPAC name of naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol (CID 174707702) is naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol.
What is the SMILES notation for naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol?
The canonical SMILES for naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol is O=Cc1ccc2ccccc2c1.Oc1ccc2ccc3c(c2c1)CCC1=C3C=CCC1.
What is the InChIKey of naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol?
The InChIKey is RNFZQXUPGQMNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O.C11H8O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14;12-8-9-5-6-10-3-1-2-4-11(10)7-9/h2,4-5,7-9,11,19H,1,3,6,10H2;1-8H.
What are the key properties of naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol?
naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol has a molecular weight of 404.51 g/mol, XLogP of 7.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-carbaldehyde;5,6,7,8-tetrahydrochrysen-3-ol is sourced from PubChem (CID 174707702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).