(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol

C18H24OS — CID 116542757

IUPAC(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ccc(C(C)(C)C)s2)c1
InChIInChI=1S/C18H24OS/c1-5-7-13-8-6-9-14(12-13)17(19)15-10-11-16(20-15)18(2,3)4/h6,8-12,17,19H,5,7H2,1-4H3
InChIKeyXAHCVQNCFUCPMP-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.08
Rot. Bonds4

About (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol

(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol (PubChem CID 116542757) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol
PubChem CID116542757
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ccc(C(C)(C)C)s2)c1
InChIInChI=1S/C18H24OS/c1-5-7-13-8-6-9-14(12-13)17(19)15-10-11-16(20-15)18(2,3)4/h6,8-12,17,19H,5,7H2,1-4H3
InChIKeyXAHCVQNCFUCPMP-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol
CID 114520982
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
2-methyl-1-(3-propylphenyl)butane-1,2-diol
CID 103448692
(3-propylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116542503
(5-tert-butylthiophen-2-yl)-(2-propoxyphenyl)methanol
CID 104658893
(4-methoxyphenyl)-(3-propylphenyl)methanol
CID 116542361
(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
CID 115838108
(5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol
CID 113297017
(3-fluoro-5-methylphenyl)-(3-propylphenyl)methanol
CID 116543763
(4-methyl-1,3-thiazol-5-yl)-(3-propylphenyl)methanol
CID 105131004
(3-methoxythiophen-2-yl)-(3-propylphenyl)methanol
CID 115838098

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol (CID 116542757) is (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2ccc(C(C)(C)C)s2)c1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol?
The InChIKey is XAHCVQNCFUCPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS/c1-5-7-13-8-6-9-14(12-13)17(19)15-10-11-16(20-15)18(2,3)4/h6,8-12,17,19H,5,7H2,1-4H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol?
(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol has a molecular weight of 288.46 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol is sourced from PubChem (CID 116542757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).