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

C18H22O2S — CID 114520982

IUPAC(5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2cccc(OC3CC3)c2)s1
InChIInChI=1S/C18H22O2S/c1-18(2,3)16-10-9-15(21-16)17(19)12-5-4-6-14(11-12)20-13-7-8-13/h4-6,9-11,13,17,19H,7-8H2,1-3H3
InChIKeyDMDZCYZEQAOIIT-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.67
Rot. Bonds4

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

(5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol (PubChem CID 114520982) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol
PubChem CID114520982
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name(5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2cccc(OC3CC3)c2)s1
InChIInChI=1S/C18H22O2S/c1-18(2,3)16-10-9-15(21-16)17(19)12-5-4-6-14(11-12)20-13-7-8-13/h4-6,9-11,13,17,19H,7-8H2,1-3H3
InChIKeyDMDZCYZEQAOIIT-UHFFFAOYSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyloxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 115838494
(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol
CID 116542757
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
1-(3-cyclopropyloxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105131484
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 115838526
(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115838514
(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol
CID 107124992
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol (CID 114520982) is (5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol is CC(C)(C)c1ccc(C(O)c2cccc(OC3CC3)c2)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol?
The InChIKey is DMDZCYZEQAOIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-18(2,3)16-10-9-15(21-16)17(19)12-5-4-6-14(11-12)20-13-7-8-13/h4-6,9-11,13,17,19H,7-8H2,1-3H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol?
(5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol has a molecular weight of 302.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 114520982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).