7-chloro-3-methyl-2H-chromene

C10H9ClO — CID 20759998

IUPAC7-chloro-3-methyl-2H-chromene
SMILESCC1=Cc2ccc(Cl)cc2OC1
InChIInChI=1S/C10H9ClO/c1-7-4-8-2-3-9(11)5-10(8)12-6-7/h2-5H,6H2,1H3
InChIKeyNYDZABJFQPXAKH-UHFFFAOYSA-N
MW180.63 g/mol
LogP3.14
Rot. Bonds

About 7-chloro-3-methyl-2H-chromene

7-chloro-3-methyl-2H-chromene (PubChem CID 20759998) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 7-chloro-3-methyl-2H-chromene.

Molecular Properties

Compound Name7-chloro-3-methyl-2H-chromene
PubChem CID20759998
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name7-chloro-3-methyl-2H-chromene
SMILESCC1=Cc2ccc(Cl)cc2OC1
InChIInChI=1S/C10H9ClO/c1-7-4-8-2-3-9(11)5-10(8)12-6-7/h2-5H,6H2,1H3
InChIKeyNYDZABJFQPXAKH-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 7-chloro-2H-chromene-3-carboxylate
CID 22934791
6-ethyl-3-methyl-2H-chromene
CID 143482553
ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene
CID 171088384
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride
CID 115616011
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
CID 115615997
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
(E)-3-(6-chloro-2H-chromen-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 46192582
N-[(6-chloro-2H-chromen-3-yl)methyl]propan-1-amine
CID 115605423
3,6-dimethyl-2H-pyrano[3,2-b]pyridine
CID 143545346
4-[5-(6-chloro-2H-chromen-3-yl)-1H-pyrrol-2-yl]benzoic acid
CID 18709772

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2H-chromene?
The IUPAC name of 7-chloro-3-methyl-2H-chromene (CID 20759998) is 7-chloro-3-methyl-2H-chromene.
What is the SMILES notation for 7-chloro-3-methyl-2H-chromene?
The canonical SMILES for 7-chloro-3-methyl-2H-chromene is CC1=Cc2ccc(Cl)cc2OC1.
What is the InChIKey of 7-chloro-3-methyl-2H-chromene?
The InChIKey is NYDZABJFQPXAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c1-7-4-8-2-3-9(11)5-10(8)12-6-7/h2-5H,6H2,1H3.
What are the key properties of 7-chloro-3-methyl-2H-chromene?
7-chloro-3-methyl-2H-chromene has a molecular weight of 180.63 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2H-chromene is sourced from PubChem (CID 20759998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).