(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone

C17H14O3S — CID 81121662

IUPAC(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3sccc3OC)ccc2c1
InChIInChI=1S/C17H14O3S/c1-19-14-6-5-11-9-13(4-3-12(11)10-14)16(18)17-15(20-2)7-8-21-17/h3-10H,1-2H3
InChIKeyAMQRIPMAEUWWEJ-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.15
Rot. Bonds4

About (6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone

(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81121662) has the molecular formula C17H14O3S and a molecular weight of 298.36 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81121662
Molecular FormulaC17H14O3S
Molecular Weight298.36 g/mol
Exact Mass298.07
IUPAC Name(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3sccc3OC)ccc2c1
InChIInChI=1S/C17H14O3S/c1-19-14-6-5-11-9-13(4-3-12(11)10-14)16(18)17-15(20-2)7-8-21-17/h3-10H,1-2H3
InChIKeyAMQRIPMAEUWWEJ-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
4-methoxybenzoyl chloride;(4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone;3-methoxythiophene
CID 159868660
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 81126938
6-methoxy-N-methylnaphthalene-2-carbohydrazide
CID 116845699
(3-methoxythiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 81126948

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone (CID 81121662) is (6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone is COc1ccc2cc(C(=O)c3sccc3OC)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is AMQRIPMAEUWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3S/c1-19-14-6-5-11-9-13(4-3-12(11)10-14)16(18)17-15(20-2)7-8-21-17/h3-10H,1-2H3.
What are the key properties of (6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone?
(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 298.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81121662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).