4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol

C18H16O2S — CID 141409418

IUPAC4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1C1(c2cc3ccccc3s2)CC1
InChIInChI=1S/C18H16O2S/c1-20-15-11-13(19)6-7-14(15)18(8-9-18)17-10-12-4-2-3-5-16(12)21-17/h2-7,10-11,19H,8-9H2,1H3
InChIKeyOQHKSSNYOPSTFV-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.70
Rot. Bonds3

About 4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol

4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol (PubChem CID 141409418) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol
PubChem CID141409418
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1C1(c2cc3ccccc3s2)CC1
InChIInChI=1S/C18H16O2S/c1-20-15-11-13(19)6-7-14(15)18(8-9-18)17-10-12-4-2-3-5-16(12)21-17/h2-7,10-11,19H,8-9H2,1H3
InChIKeyOQHKSSNYOPSTFV-UHFFFAOYSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methylphenol
CID 141409415
4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182
2-(2-methoxyphenyl)-1-benzothiophene
CID 4137516
1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol
CID 10105986
(3R)-3-(1-benzothiophen-2-yl)-1,3-dimethylpyrrolidine
CID 126704852
2,2-bis(1-benzothiophen-2-yl)oxirane
CID 90390877
9-(1-benzothiophen-2-yl)fluoren-9-ol
CID 22117570
1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one
CID 174424809
N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide
CID 10266083
1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone
CID 61406778
sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride
CID 173047029
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol?
The IUPAC name of 4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol (CID 141409418) is 4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol.
What is the SMILES notation for 4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol?
The canonical SMILES for 4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol is COc1cc(O)ccc1C1(c2cc3ccccc3s2)CC1.
What is the InChIKey of 4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol?
The InChIKey is OQHKSSNYOPSTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-20-15-11-13(19)6-7-14(15)18(8-9-18)17-10-12-4-2-3-5-16(12)21-17/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol?
4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol has a molecular weight of 296.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methoxyphenol is sourced from PubChem (CID 141409418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).