(3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C18H17ClO — CID 107126880

IUPAC(3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)C2CCc3ccccc3C2)c1
InChIInChI=1S/C18H17ClO/c1-12-8-16(11-17(19)9-12)18(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,8-9,11,15H,6-7,10H2,1H3
InChIKeyRUUFRHQYZNABFC-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.64
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

(3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 107126880) has the molecular formula C18H17ClO and a molecular weight of 284.79 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID107126880
Molecular FormulaC18H17ClO
Molecular Weight284.79 g/mol
Exact Mass284.10
IUPAC Name(3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)C2CCc3ccccc3C2)c1
InChIInChI=1S/C18H17ClO/c1-12-8-16(11-17(19)9-12)18(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,8-9,11,15H,6-7,10H2,1H3
InChIKeyRUUFRHQYZNABFC-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 107126880) is (3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is Cc1cc(Cl)cc(C(=O)C2CCc3ccccc3C2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is RUUFRHQYZNABFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO/c1-12-8-16(11-17(19)9-12)18(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,8-9,11,15H,6-7,10H2,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
(3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 284.79 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 107126880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).