1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol

C18H20O2 — CID 65410770

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)C1COc2ccccc2C1
InChIInChI=1S/C18H20O2/c1-13-6-2-3-7-14(13)11-17(19)16-10-15-8-4-5-9-18(15)20-12-16/h2-9,16-17,19H,10-12H2,1H3
InChIKeyXJWDKWWDCROUQH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.15
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol

1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol (PubChem CID 65410770) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
PubChem CID65410770
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)C1COc2ccccc2C1
InChIInChI=1S/C18H20O2/c1-13-6-2-3-7-14(13)11-17(19)16-10-15-8-4-5-9-18(15)20-12-16/h2-9,16-17,19H,10-12H2,1H3
InChIKeyXJWDKWWDCROUQH-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol (CID 65410770) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol?
The InChIKey is XJWDKWWDCROUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-6-2-3-7-14(13)11-17(19)16-10-15-8-4-5-9-18(15)20-12-16/h2-9,16-17,19H,10-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol?
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol has a molecular weight of 268.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 65410770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).