(5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol

C14H15ClO2 — CID 106693790

IUPAC(5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2ccc(Cl)o2)cc1C
InChIInChI=1S/C14H15ClO2/c1-8-6-10(3)11(7-9(8)2)14(16)12-4-5-13(15)17-12/h4-7,14,16H,1-3H3
InChIKeyKKFATCVEHSLXAK-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.94
Rot. Bonds2

About (5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol

(5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol (PubChem CID 106693790) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol
PubChem CID106693790
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name(5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2ccc(Cl)o2)cc1C
InChIInChI=1S/C14H15ClO2/c1-8-6-10(3)11(7-9(8)2)14(16)12-4-5-13(15)17-12/h4-7,14,16H,1-3H3
InChIKeyKKFATCVEHSLXAK-UHFFFAOYSA-N
XLogP3.94
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 106688821
2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan
CID 106689203
(5-chlorofuran-2-yl)-(2-chlorophenyl)methanol
CID 106693568
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(5-chlorofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 106693712
(5-chlorofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 106688862
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
CID 103216864
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807096
(2,4-dibromophenyl)-(2,4,5-trimethylphenyl)methanol
CID 107947548
(3,5-difluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64990191
(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106691945
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of (5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol (CID 106693790) is (5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for (5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for (5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2ccc(Cl)o2)cc1C.
What is the InChIKey of (5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol?
The InChIKey is KKFATCVEHSLXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-8-6-10(3)11(7-9(8)2)14(16)12-4-5-13(15)17-12/h4-7,14,16H,1-3H3.
What are the key properties of (5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol?
(5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol has a molecular weight of 250.72 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 106693790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).