(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol

C14H14Cl2O2S — CID 62919997

IUPAC(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C14H14Cl2O2S/c1-8(2)18-10-5-3-4-9(6-10)13(17)11-7-12(15)19-14(11)16/h3-8,13,17H,1-2H3
InChIKeyZZBSCMSCBXEMHG-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.92
Rot. Bonds4

About (2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol

(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 62919997) has the molecular formula C14H14Cl2O2S and a molecular weight of 317.24 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID62919997
Molecular FormulaC14H14Cl2O2S
Molecular Weight317.24 g/mol
Exact Mass316.01
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C14H14Cl2O2S/c1-8(2)18-10-5-3-4-9(6-10)13(17)11-7-12(15)19-14(11)16/h3-8,13,17H,1-2H3
InChIKeyZZBSCMSCBXEMHG-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107969653
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 62918976
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol
CID 79020840
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107947698

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol (CID 62919997) is (2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol is CC(C)Oc1cccc(C(O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is ZZBSCMSCBXEMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O2S/c1-8(2)18-10-5-3-4-9(6-10)13(17)11-7-12(15)19-14(11)16/h3-8,13,17H,1-2H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol?
(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 317.24 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 62919997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).