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

C18H17ClO2 — CID 107126417

IUPAC(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCOc1ccc(C(=O)C2CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C18H17ClO2/c1-21-17-9-8-15(11-16(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
InChIKeyMRWFPWHYXVDZTR-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.34
Rot. Bonds3

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

(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 107126417) has the molecular formula C18H17ClO2 and a molecular weight of 300.79 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID107126417
Molecular FormulaC18H17ClO2
Molecular Weight300.79 g/mol
Exact Mass300.09
IUPAC Name(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCOc1ccc(C(=O)C2CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C18H17ClO2/c1-21-17-9-8-15(11-16(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
InChIKeyMRWFPWHYXVDZTR-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)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546
(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 79697699
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
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
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone
CID 107126876
(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176355
2-[chloro-(3-chloro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127418
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759516

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 107126417) is (3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is COc1ccc(C(=O)C2CCc3ccccc3C2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is MRWFPWHYXVDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO2/c1-21-17-9-8-15(11-16(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 (3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
(3-chloro-4-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 (3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 107126417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).