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

C18H17ClO2 — CID 79697699

IUPAC(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCOc1cc(C(=O)C2CCc3ccccc3C2)ccc1Cl
InChIInChI=1S/C18H17ClO2/c1-21-17-11-15(8-9-16(17)19)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,8-9,11,14H,6-7,10H2,1H3
InChIKeyPUCVTUDPXPKSDN-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.34
Rot. Bonds3

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

(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 79697699) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID79697699
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCOc1cc(C(=O)C2CCc3ccccc3C2)ccc1Cl
InChIInChI=1S/C18H17ClO2/c1-21-17-11-15(8-9-16(17)19)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,8-9,11,14H,6-7,10H2,1H3
InChIKeyPUCVTUDPXPKSDN-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126417
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79697155
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
CID 106892565
(3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126880
(3,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408772
1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone
CID 107126876
N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126097
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 79697699) is (4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is COc1cc(C(=O)C2CCc3ccccc3C2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is PUCVTUDPXPKSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-21-17-11-15(8-9-16(17)19)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-5,8-9,11,14H,6-7,10H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 300.79 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 79697699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).