(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol

C17H16O3S — CID 81119910

IUPAC(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C17H16O3S/c1-19-14-6-5-11-7-13(4-3-12(11)8-14)17(18)16-9-15(20-2)10-21-16/h3-10,17-18H,1-2H3
InChIKeyGQZRNFBUPXEIQB-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.00
Rot. Bonds4

About (6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol

(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol (PubChem CID 81119910) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol
PubChem CID81119910
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C17H16O3S/c1-19-14-6-5-11-7-13(4-3-12(11)8-14)17(18)16-9-15(20-2)10-21-16/h3-10,17-18H,1-2H3
InChIKeyGQZRNFBUPXEIQB-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol
CID 22018460
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanol
CID 115805532
(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114982389
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
CID 107292011
(4-methoxy-3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 83068716
(6-methoxynaphthalen-2-yl)-(5-methylfuran-3-yl)methanol
CID 114822321
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
(4-methoxythiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81119806
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of (6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol (CID 81119910) is (6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol is COc1csc(C(O)c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol?
The InChIKey is GQZRNFBUPXEIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c1-19-14-6-5-11-7-13(4-3-12(11)8-14)17(18)16-9-15(20-2)10-21-16/h3-10,17-18H,1-2H3.
What are the key properties of (6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol?
(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol has a molecular weight of 300.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 81119910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).