(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

C18H24O3 — CID 103277997

IUPAC(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC(C1CC(C)=CC(C)C1)O2
InChIInChI=1S/C18H24O3/c1-11-6-12(2)8-13(7-11)18-10-16(19)15-9-14(20-3)4-5-17(15)21-18/h4-6,9,11,13,16,18-19H,7-8,10H2,1-3H3/t11?,13?,16-,18?/m1/s1
InChIKeyBJCVWAQIVIUFSJ-JVEBRUCHSA-N
MW288.39 g/mol
LogP3.87
Rot. Bonds2

About (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 103277997) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID103277997
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC(C1CC(C)=CC(C)C1)O2
InChIInChI=1S/C18H24O3/c1-11-6-12(2)8-13(7-11)18-10-16(19)15-9-14(20-3)4-5-17(15)21-18/h4-6,9,11,13,16,18-19H,7-8,10H2,1-3H3/t11?,13?,16-,18?/m1/s1
InChIKeyBJCVWAQIVIUFSJ-JVEBRUCHSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-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 (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 103277997) is (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)[C@H](O)CC(C1CC(C)=CC(C)C1)O2.
What is the InChIKey of (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is BJCVWAQIVIUFSJ-JVEBRUCHSA-N. The full InChI is InChI=1S/C18H24O3/c1-11-6-12(2)8-13(7-11)18-10-16(19)15-9-14(20-3)4-5-17(15)21-18/h4-6,9,11,13,16,18-19H,7-8,10H2,1-3H3/t11?,13?,16-,18?/m1/s1.
What are the key properties of (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 288.39 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 103277997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).