(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol

C18H20O3 — CID 104949995

IUPAC(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCCOc1cccc(C2C[C@H](O)c3ccccc3O2)c1
InChIInChI=1S/C18H20O3/c1-2-10-20-14-7-5-6-13(11-14)18-12-16(19)15-8-3-4-9-17(15)21-18/h3-9,11,16,18-19H,2,10,12H2,1H3/t16-,18?/m0/s1
InChIKeyKHBLLEVDLVHNLM-ATNAJCNCSA-N
MW284.36 g/mol
LogP4.03
Rot. Bonds4

About (4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949995) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949995
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCCOc1cccc(C2C[C@H](O)c3ccccc3O2)c1
InChIInChI=1S/C18H20O3/c1-2-10-20-14-7-5-6-13(11-14)18-12-16(19)15-8-3-4-9-17(15)21-18/h3-9,11,16,18-19H,2,10,12H2,1H3/t16-,18?/m0/s1
InChIKeyKHBLLEVDLVHNLM-ATNAJCNCSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-2-(3-propoxyphenyl)-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

Related Compounds

2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708
(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951800
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948887
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
(4S)-2-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949983
2-(4-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709530
2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715039
(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949924
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104949995) is (4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is CCCOc1cccc(C2C[C@H](O)c3ccccc3O2)c1.
What is the InChIKey of (4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is KHBLLEVDLVHNLM-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-10-20-14-7-5-6-13(11-14)18-12-16(19)15-8-3-4-9-17(15)21-18/h3-9,11,16,18-19H,2,10,12H2,1H3/t16-,18?/m0/s1.
What are the key properties of (4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 284.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).