1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol

C12H15ClO2 — CID 84690833

IUPAC1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol
SMILESCc1c(C(C)O)cc(Cl)c2c1CCCO2
InChIInChI=1S/C12H15ClO2/c1-7-9-4-3-5-15-12(9)11(13)6-10(7)8(2)14/h6,8,14H,3-5H2,1-2H3
InChIKeyYHCHGIMCDOPHJA-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.03
Rot. Bonds1

About 1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol

1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol (PubChem CID 84690833) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol.

Molecular Properties

Compound Name1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol
PubChem CID84690833
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol
SMILESCc1c(C(C)O)cc(Cl)c2c1CCCO2
InChIInChI=1S/C12H15ClO2/c1-7-9-4-3-5-15-12(9)11(13)6-10(7)8(2)14/h6,8,14H,3-5H2,1-2H3
InChIKeyYHCHGIMCDOPHJA-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)propanoic acid
CID 117427318
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84680593
2-amino-1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanone
CID 84701574
1-(7-chloro-6-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)ethanol
CID 86697514
3-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoic acid
CID 117454486
5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol
CID 5211612
5-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117473771
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanol
CID 61083339
1-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117358648
2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84704105
ethyl 2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117462314
1-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)ethanol
CID 117460368

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol?
The IUPAC name of 1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol (CID 84690833) is 1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol.
What is the SMILES notation for 1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol?
The canonical SMILES for 1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol is Cc1c(C(C)O)cc(Cl)c2c1CCCO2.
What is the InChIKey of 1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol?
The InChIKey is YHCHGIMCDOPHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-7-9-4-3-5-15-12(9)11(13)6-10(7)8(2)14/h6,8,14H,3-5H2,1-2H3.
What are the key properties of 1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol?
1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol has a molecular weight of 226.70 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 1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol is sourced from PubChem (CID 84690833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).