1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone

C14H13ClO — CID 123412123

IUPAC1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone
SMILESCCc1cc2ccc(C(C)=O)cc2cc1Cl
InChIInChI=1S/C14H13ClO/c1-3-10-6-12-5-4-11(9(2)16)7-13(12)8-14(10)15/h4-8H,3H2,1-2H3
InChIKeyHBPFNRZSDPHKMI-UHFFFAOYSA-N
MW232.71 g/mol
LogP4.26
Rot. Bonds2

About 1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone

1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone (PubChem CID 123412123) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone
PubChem CID123412123
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone
SMILESCCc1cc2ccc(C(C)=O)cc2cc1Cl
InChIInChI=1S/C14H13ClO/c1-3-10-6-12-5-4-11(9(2)16)7-13(12)8-14(10)15/h4-8H,3H2,1-2H3
InChIKeyHBPFNRZSDPHKMI-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
1-(6-ethylsulfanylnaphthalen-2-yl)ethanone
CID 22152811
1-(7-bromonaphthalen-2-yl)ethanone
CID 68758171
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
1-ethyl-4-methoxybenzene;1-(6-ethylnaphthalen-2-yl)ethanone;methane;methoxymethane
CID 158794651
1-(6-tert-butylnaphthalen-2-yl)ethanone
CID 59199741
4-chloro-3-ethylbenzoic acid
CID 21412279
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 15333970

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone (CID 123412123) is 1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone is CCc1cc2ccc(C(C)=O)cc2cc1Cl.
What is the InChIKey of 1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone?
The InChIKey is HBPFNRZSDPHKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-3-10-6-12-5-4-11(9(2)16)7-13(12)8-14(10)15/h4-8H,3H2,1-2H3.
What are the key properties of 1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone?
1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone has a molecular weight of 232.71 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 123412123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).