(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C17H15ClO — CID 65409160

IUPAC(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H15ClO/c18-16-7-3-6-14(11-16)17(19)15-9-8-12-4-1-2-5-13(12)10-15/h1-7,11,15H,8-10H2
InChIKeyONQWFJBKJPOIQB-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.33
Rot. Bonds2

About (3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 65409160) has the molecular formula C17H15ClO and a molecular weight of 270.76 g/mol. Its IUPAC name is (3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID65409160
Molecular FormulaC17H15ClO
Molecular Weight270.76 g/mol
Exact Mass270.08
IUPAC Name(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H15ClO/c18-16-7-3-6-14(11-16)17(19)15-9-8-12-4-1-2-5-13(12)10-15/h1-7,11,15H,8-10H2
InChIKeyONQWFJBKJPOIQB-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 65409160) is (3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is O=C(c1cccc(Cl)c1)C1CCc2ccccc2C1.
What is the InChIKey of (3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is ONQWFJBKJPOIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO/c18-16-7-3-6-14(11-16)17(19)15-9-8-12-4-1-2-5-13(12)10-15/h1-7,11,15H,8-10H2.
What are the key properties of (3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 270.76 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 65409160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).