6-chloro-3-ethyl-2-methoxy-2-phenylchromene

C18H17ClO2 — CID 177419130

IUPAC6-chloro-3-ethyl-2-methoxy-2-phenylchromene
SMILESCCC1=Cc2cc(Cl)ccc2OC1(OC)c1ccccc1
InChIInChI=1S/C18H17ClO2/c1-3-14-11-13-12-16(19)9-10-17(13)21-18(14,20-2)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3
InChIKeyRBQSINQYXJNEKY-UHFFFAOYSA-N
MW300.79 g/mol
LogP5.03
Rot. Bonds3

About 6-chloro-3-ethyl-2-methoxy-2-phenylchromene

6-chloro-3-ethyl-2-methoxy-2-phenylchromene (PubChem CID 177419130) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-methoxy-2-phenylchromene.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-methoxy-2-phenylchromene
PubChem CID177419130
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name6-chloro-3-ethyl-2-methoxy-2-phenylchromene
SMILESCCC1=Cc2cc(Cl)ccc2OC1(OC)c1ccccc1
InChIInChI=1S/C18H17ClO2/c1-3-14-11-13-12-16(19)9-10-17(13)21-18(14,20-2)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3
InChIKeyRBQSINQYXJNEKY-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.79
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-ethyl-2-methoxy-2-phenylchromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane
CID 122363285
(4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one
CID 162345531
[3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol
CID 141097868
1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]
CID 155907395
N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
CID 115615997
bis[(2-ethyl-1-phenylinden-1-yl)methyl]silane
CID 137328470
6,9-dichloro-12a-ethoxy-7H-benzo[c]phenoxazin-5-one
CID 12622294
3,6-dichloro-9-phenylxanthen-9-ol
CID 159187937
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
ethyl 6-chloro-2-(diethylamino)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
CID 70575337
(4-phenylpiperidin-4-yl) 4-chloro-2-methoxybenzoate
CID 167315777
2-butyl-6-chloro-2-(trifluoromethyl)chromene-3-carbaldehyde
CID 174677249

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2-methoxy-2-phenylchromene?
The IUPAC name of 6-chloro-3-ethyl-2-methoxy-2-phenylchromene (CID 177419130) is 6-chloro-3-ethyl-2-methoxy-2-phenylchromene.
What is the SMILES notation for 6-chloro-3-ethyl-2-methoxy-2-phenylchromene?
The canonical SMILES for 6-chloro-3-ethyl-2-methoxy-2-phenylchromene is CCC1=Cc2cc(Cl)ccc2OC1(OC)c1ccccc1.
What is the InChIKey of 6-chloro-3-ethyl-2-methoxy-2-phenylchromene?
The InChIKey is RBQSINQYXJNEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-3-14-11-13-12-16(19)9-10-17(13)21-18(14,20-2)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3.
What are the key properties of 6-chloro-3-ethyl-2-methoxy-2-phenylchromene?
6-chloro-3-ethyl-2-methoxy-2-phenylchromene has a molecular weight of 300.79 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-methoxy-2-phenylchromene is sourced from PubChem (CID 177419130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).