1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol

C19H22O2 — CID 62538318

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc3c(c2)CCCO3)cc1C
InChIInChI=1S/C19H22O2/c1-13-5-6-15(10-14(13)2)11-18(20)16-7-8-19-17(12-16)4-3-9-21-19/h5-8,10,12,18,20H,3-4,9,11H2,1-2H3
InChIKeyIXRMMBFQHGOLRA-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.90
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol

1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 62538318) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
PubChem CID62538318
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc3c(c2)CCCO3)cc1C
InChIInChI=1S/C19H22O2/c1-13-5-6-15(10-14(13)2)11-18(20)16-7-8-19-17(12-16)4-3-9-21-19/h5-8,10,12,18,20H,3-4,9,11H2,1-2H3
InChIKeyIXRMMBFQHGOLRA-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537163
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 61080781
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65447174
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
CID 61100428
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 82799951
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 62505676
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol (CID 62538318) is 1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol is Cc1ccc(CC(O)c2ccc3c(c2)CCCO3)cc1C.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is IXRMMBFQHGOLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-5-6-15(10-14(13)2)11-18(20)16-7-8-19-17(12-16)4-3-9-21-19/h5-8,10,12,18,20H,3-4,9,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol?
1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol has a molecular weight of 282.38 g/mol, XLogP of 3.90, 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-6-yl)-2-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 62538318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).