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

C16H16O2 — CID 168762983

IUPAC(2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol
SMILESCc1ccc([C@H]2Oc3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C16H16O2/c1-11-6-8-12(9-7-11)16-14(17)10-13-4-2-3-5-15(13)18-16/h2-9,14,16-17H,10H2,1H3/t14-,16+/m0/s1
InChIKeyUWEYCTPSLYRUSA-GOEBONIOSA-N
MW240.30 g/mol
LogP3.03
Rot. Bonds1

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

(2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 168762983) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID168762983
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol
SMILESCc1ccc([C@H]2Oc3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C16H16O2/c1-11-6-8-12(9-7-11)16-14(17)10-13-4-2-3-5-15(13)18-16/h2-9,14,16-17H,10H2,1H3/t14-,16+/m0/s1
InChIKeyUWEYCTPSLYRUSA-GOEBONIOSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol (CID 168762983) is (2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol is Cc1ccc([C@H]2Oc3ccccc3C[C@@H]2O)cc1.
What is the InChIKey of (2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is UWEYCTPSLYRUSA-GOEBONIOSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-6-8-12(9-7-11)16-14(17)10-13-4-2-3-5-15(13)18-16/h2-9,14,16-17H,10H2,1H3/t14-,16+/m0/s1.
What are the key properties of (2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol?
(2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 240.30 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 168762983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).