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

C17H17ClO2 — CID 61080781

IUPAC2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H17ClO2/c18-15-6-3-12(4-7-15)10-16(19)13-5-8-17-14(11-13)2-1-9-20-17/h3-8,11,16,19H,1-2,9-10H2
InChIKeyVPECSDQLKONUGD-UHFFFAOYSA-N
MW288.77 g/mol
LogP3.94
Rot. Bonds3

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

2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol (PubChem CID 61080781) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
PubChem CID61080781
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H17ClO2/c18-15-6-3-12(4-7-15)10-16(19)13-5-8-17-14(11-13)2-1-9-20-17/h3-8,11,16,19H,1-2,9-10H2
InChIKeyVPECSDQLKONUGD-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62538318
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 62505676
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 103047606
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
CID 63427036
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol (CID 61080781) is 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol is OC(Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol?
The InChIKey is VPECSDQLKONUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c18-15-6-3-12(4-7-15)10-16(19)13-5-8-17-14(11-13)2-1-9-20-17/h3-8,11,16,19H,1-2,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol?
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol has a molecular weight of 288.77 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol is sourced from PubChem (CID 61080781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).