1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol

C18H16O2S — CID 114939531

IUPAC1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C18H16O2S/c1-20-13-9-16(21-10-13)18(19)15-8-7-12-6-5-11-3-2-4-14(15)17(11)12/h2-4,7-10,18-19H,5-6H2,1H3
InChIKeyFGGYWDINMHYPOM-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.09
Rot. Bonds3

About 1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol

1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol (PubChem CID 114939531) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol
PubChem CID114939531
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C18H16O2S/c1-20-13-9-16(21-10-13)18(19)15-8-7-12-6-5-11-3-2-4-14(15)17(11)12/h2-4,7-10,18-19H,5-6H2,1H3
InChIKeyFGGYWDINMHYPOM-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
CID 81123747
(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
CID 115826281
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
(2-fluoro-3-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115828533
1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol
CID 91678699
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114982389
(3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 91678718
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118645
(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115794422

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol (CID 114939531) is 1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol is COc1csc(C(O)c2ccc3c4c(cccc24)CC3)c1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol?
The InChIKey is FGGYWDINMHYPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-20-13-9-16(21-10-13)18(19)15-8-7-12-6-5-11-3-2-4-14(15)17(11)12/h2-4,7-10,18-19H,5-6H2,1H3.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol?
1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol has a molecular weight of 296.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 114939531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).