(2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol

C18H18O2 — CID 142714173

IUPAC(2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol
SMILESCc1ccc(C=CC2C[C@H](O)Oc3ccccc32)cc1
InChIInChI=1S/C18H18O2/c1-13-6-8-14(9-7-13)10-11-15-12-18(19)20-17-5-3-2-4-16(15)17/h2-11,15,18-19H,12H2,1H3/t15?,18-/m1/s1
InChIKeyXGZKHEHVCRTCOY-KPMSDPLLSA-N
MW266.34 g/mol
LogP3.89
Rot. Bonds2

About (2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol

(2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol (PubChem CID 142714173) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol.

Molecular Properties

Compound Name(2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol
PubChem CID142714173
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol
SMILESCc1ccc(C=CC2C[C@H](O)Oc3ccccc32)cc1
InChIInChI=1S/C18H18O2/c1-13-6-8-14(9-7-13)10-11-15-12-18(19)20-17-5-3-2-4-16(15)17/h2-11,15,18-19H,12H2,1H3/t15?,18-/m1/s1
InChIKeyXGZKHEHVCRTCOY-KPMSDPLLSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol?
The IUPAC name of (2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol (CID 142714173) is (2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol.
What is the SMILES notation for (2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol?
The canonical SMILES for (2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol is Cc1ccc(C=CC2C[C@H](O)Oc3ccccc32)cc1.
What is the InChIKey of (2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol?
The InChIKey is XGZKHEHVCRTCOY-KPMSDPLLSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-6-8-14(9-7-13)10-11-15-12-18(19)20-17-5-3-2-4-16(15)17/h2-11,15,18-19H,12H2,1H3/t15?,18-/m1/s1.
What are the key properties of (2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol?
(2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol has a molecular weight of 266.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(4-methylphenyl)ethenyl]-3,4-dihydro-2H-chromen-2-ol is sourced from PubChem (CID 142714173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).