(3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol

C18H18O2S — CID 79975365

IUPAC(3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol
SMILESCCc1ccsc1C(O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H18O2S/c1-3-12-8-9-21-18(12)17(19)15-5-4-14-11-16(20-2)7-6-13(14)10-15/h4-11,17,19H,3H2,1-2H3
InChIKeyHVOPNAJAOVMPOG-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.55
Rot. Bonds4

About (3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol

(3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol (PubChem CID 79975365) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol
PubChem CID79975365
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name(3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol
SMILESCCc1ccsc1C(O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H18O2S/c1-3-12-8-9-21-18(12)17(19)15-5-4-14-11-16(20-2)7-6-13(14)10-15/h4-11,17,19H,3H2,1-2H3
InChIKeyHVOPNAJAOVMPOG-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylthiophen-2-yl)-(2-methoxypyrimidin-5-yl)methanol
CID 112747714
N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 79985142
(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115838514
(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol
CID 81119910
(5-ethylfuran-2-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 79095127
hydroxy-(6-methoxynaphthalen-2-yl)methanesulfonic acid
CID 4161166
(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol
CID 22018460
2-[bromo-(2-chloro-4-methoxyphenyl)methyl]-3-ethylthiophene
CID 79975691
(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 105057093
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
2-(6-methoxynaphthalen-2-yl)-4-methylpentan-3-ol
CID 79298435
(6-methoxynaphthalen-2-yl)-(5-methylfuran-3-yl)methanol
CID 114822321

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol?
The IUPAC name of (3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol (CID 79975365) is (3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol?
The canonical SMILES for (3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol is CCc1ccsc1C(O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of (3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol?
The InChIKey is HVOPNAJAOVMPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-3-12-8-9-21-18(12)17(19)15-5-4-14-11-16(20-2)7-6-13(14)10-15/h4-11,17,19H,3H2,1-2H3.
What are the key properties of (3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol?
(3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol has a molecular weight of 298.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol is sourced from PubChem (CID 79975365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).