(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol

C16H18O2S — CID 115838514

IUPAC(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol
SMILESCCc1ccsc1C(O)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H18O2S/c1-2-11-8-9-19-16(11)15(17)12-4-3-5-14(10-12)18-13-6-7-13/h3-5,8-10,13,15,17H,2,6-7H2,1H3
InChIKeyPQZGBIRJOXVMFP-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.93
Rot. Bonds5

About (3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol

(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol (PubChem CID 115838514) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol
PubChem CID115838514
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol
SMILESCCc1ccsc1C(O)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H18O2S/c1-2-11-8-9-19-16(11)15(17)12-4-3-5-14(10-12)18-13-6-7-13/h3-5,8-10,13,15,17H,2,6-7H2,1H3
InChIKeyPQZGBIRJOXVMFP-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methanol
CID 79992255
(3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 79975365
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105131524
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105018973
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
1-(3-cyclopropyloxyphenyl)-4-ethoxybutan-1-ol
CID 105131562
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol?
The IUPAC name of (3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol (CID 115838514) is (3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol is CCc1ccsc1C(O)c1cccc(OC2CC2)c1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol?
The InChIKey is PQZGBIRJOXVMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-2-11-8-9-19-16(11)15(17)12-4-3-5-14(10-12)18-13-6-7-13/h3-5,8-10,13,15,17H,2,6-7H2,1H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol?
(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol has a molecular weight of 274.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 115838514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).