3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene

C22H18OS — CID 139641972

IUPAC3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene
SMILESCOc1c(Cc2cccc(-c3ccsc3)c2)ccc2ccccc12
InChIInChI=1S/C22H18OS/c1-23-22-19(10-9-17-6-2-3-8-21(17)22)14-16-5-4-7-18(13-16)20-11-12-24-15-20/h2-13,15H,14H2,1H3
InChIKeyDHYDUJFBHGHAOL-UHFFFAOYSA-N
MW330.45 g/mol
LogP6.17
Rot. Bonds4

About 3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene

3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene (PubChem CID 139641972) has the molecular formula C22H18OS and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene.

Molecular Properties

Compound Name3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene
PubChem CID139641972
Molecular FormulaC22H18OS
Molecular Weight330.45 g/mol
Exact Mass330.11
IUPAC Name3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene
SMILESCOc1c(Cc2cccc(-c3ccsc3)c2)ccc2ccccc12
InChIInChI=1S/C22H18OS/c1-23-22-19(10-9-17-6-2-3-8-21(17)22)14-16-5-4-7-18(13-16)20-11-12-24-15-20/h2-13,15H,14H2,1H3
InChIKeyDHYDUJFBHGHAOL-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1-methoxynaphthalene
CID 15617899
1-methoxy-4-[[4-methoxy-3-[(1-methoxynaphthalen-2-yl)methyl]naphthalen-1-yl]methyl]-2-[(1-methoxynaphthalen-2-yl)methyl]naphthalene
CID 15852631
methyl 2-(3-thiophen-3-ylphenyl)acetate
CID 141177375
3-[3-(2-methylpropyl)phenyl]thiophene
CID 20771915
methyl 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzoate
CID 54449983
1-methoxy-2-propylnaphthalene
CID 19091368
cyclopenta[c]thiopyran
CID 584139
3-(3-methylphenyl)thiophene
CID 4130346
3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 176909607
N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine
CID 171442406
ethane;3-(3-methylphenyl)thiophene
CID 143181540
2-(hydroxysulfanylmethyl)-1-methoxynaphthalene
CID 166953563

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene?
The IUPAC name of 3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene (CID 139641972) is 3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene.
What is the SMILES notation for 3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene?
The canonical SMILES for 3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene is COc1c(Cc2cccc(-c3ccsc3)c2)ccc2ccccc12.
What is the InChIKey of 3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene?
The InChIKey is DHYDUJFBHGHAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18OS/c1-23-22-19(10-9-17-6-2-3-8-21(17)22)14-16-5-4-7-18(13-16)20-11-12-24-15-20/h2-13,15H,14H2,1H3.
What are the key properties of 3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene?
3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene has a molecular weight of 330.45 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-methoxynaphthalen-2-yl)methyl]phenyl]thiophene is sourced from PubChem (CID 139641972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).