(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol

C14H15ClOS — CID 115838108

IUPAC(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2sccc2Cl)c1
InChIInChI=1S/C14H15ClOS/c1-2-4-10-5-3-6-11(9-10)13(16)14-12(15)7-8-17-14/h3,5-9,13,16H,2,4H2,1H3
InChIKeyKEEAEWPNQMWOOI-UHFFFAOYSA-N
MW266.79 g/mol
LogP4.44
Rot. Bonds4

About (3-chlorothiophen-2-yl)-(3-propylphenyl)methanol

(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol (PubChem CID 115838108) has the molecular formula C14H15ClOS and a molecular weight of 266.79 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
PubChem CID115838108
Molecular FormulaC14H15ClOS
Molecular Weight266.79 g/mol
Exact Mass266.05
IUPAC Name(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2sccc2Cl)c1
InChIInChI=1S/C14H15ClOS/c1-2-4-10-5-3-6-11(9-10)13(16)14-12(15)7-8-17-14/h3,5-9,13,16H,2,4H2,1H3
InChIKeyKEEAEWPNQMWOOI-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526
(3-methoxythiophen-2-yl)-(3-propylphenyl)methanol
CID 115838098
(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
CID 105131004
(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine
CID 105018799
(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol
CID 116542736
(3-chloro-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116543595
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
CID 105131021
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(3-propylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116542503

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3-propylphenyl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(3-propylphenyl)methanol (CID 115838108) is (3-chlorothiophen-2-yl)-(3-propylphenyl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3-propylphenyl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2sccc2Cl)c1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3-propylphenyl)methanol?
The InChIKey is KEEAEWPNQMWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClOS/c1-2-4-10-5-3-6-11(9-10)13(16)14-12(15)7-8-17-14/h3,5-9,13,16H,2,4H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(3-propylphenyl)methanol?
(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol has a molecular weight of 266.79 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3-propylphenyl)methanol is sourced from PubChem (CID 115838108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).