(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol

C15H18O2S — CID 55132743

IUPAC(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2sccc2C)c1
InChIInChI=1S/C15H18O2S/c1-3-8-17-13-6-4-5-12(10-13)14(16)15-11(2)7-9-18-15/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyPHAQLYMQGIOCPE-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.93
Rot. Bonds5

About (3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol

(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol (PubChem CID 55132743) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
PubChem CID55132743
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2sccc2C)c1
InChIInChI=1S/C15H18O2S/c1-3-8-17-13-6-4-5-12(10-13)14(16)15-11(2)7-9-18-15/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyPHAQLYMQGIOCPE-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
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-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973382
1-benzothiophen-7-yl-(3-propoxyphenyl)methanol
CID 81131839
(5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 79991363
3-bromo-2-[chloro-(3-propoxyphenyl)methyl]thiophene
CID 80535853
(3-propoxyphenyl)-(4-propylphenyl)methanol
CID 62919013
1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol?
The IUPAC name of (3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol (CID 55132743) is (3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol?
The canonical SMILES for (3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol is CCCOc1cccc(C(O)c2sccc2C)c1.
What is the InChIKey of (3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol?
The InChIKey is PHAQLYMQGIOCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-3-8-17-13-6-4-5-12(10-13)14(16)15-11(2)7-9-18-15/h4-7,9-10,14,16H,3,8H2,1-2H3.
What are the key properties of (3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol?
(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol has a molecular weight of 262.37 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-methylthiophen-2-yl)-(3-propoxyphenyl)methanol is sourced from PubChem (CID 55132743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).