(5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol

C16H19ClO2 — CID 106688821

IUPAC(5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2ccc(Cl)o2)c(C)c1C
InChIInChI=1S/C16H19ClO2/c1-8-9(2)11(4)15(12(5)10(8)3)16(18)13-6-7-14(17)19-13/h6-7,16,18H,1-5H3
InChIKeyHLNORZDPRKBMNC-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.56
Rot. Bonds2

About (5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol

(5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol (PubChem CID 106688821) has the molecular formula C16H19ClO2 and a molecular weight of 278.78 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
PubChem CID106688821
Molecular FormulaC16H19ClO2
Molecular Weight278.78 g/mol
Exact Mass278.11
IUPAC Name(5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
SMILESCc1c(C)c(C)c(C(O)c2ccc(Cl)o2)c(C)c1C
InChIInChI=1S/C16H19ClO2/c1-8-9(2)11(4)15(12(5)10(8)3)16(18)13-6-7-14(17)19-13/h6-7,16,18H,1-5H3
InChIKeyHLNORZDPRKBMNC-UHFFFAOYSA-N
XLogP4.56
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 106693790
(5-chlorofuran-2-yl)-(2-chlorophenyl)methanol
CID 106693568
(5-chlorofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 106688862
5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947249
furan-2-yl-(2,3,4,5,6-pentamethylphenyl)methanol
CID 61099242
(5-chlorofuran-2-yl)-(4-propylphenyl)methanol
CID 106688844
(5-chlorofuran-2-yl)-(1H-pyrrol-3-yl)methanol
CID 106688899
(4-butylphenyl)-(5-chlorofuran-2-yl)methanol
CID 106688839
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 106693567
1-amino-1-(5-chlorofuran-2-yl)-3-methylbutan-2-ol
CID 130151724
(5-chlorofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 106693712

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The IUPAC name of (5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol (CID 106688821) is (5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol.
What is the SMILES notation for (5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The canonical SMILES for (5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol is Cc1c(C)c(C)c(C(O)c2ccc(Cl)o2)c(C)c1C.
What is the InChIKey of (5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
The InChIKey is HLNORZDPRKBMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO2/c1-8-9(2)11(4)15(12(5)10(8)3)16(18)13-6-7-14(17)19-13/h6-7,16,18H,1-5H3.
What are the key properties of (5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol?
(5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol has a molecular weight of 278.78 g/mol, XLogP of 4.56, 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)-(2,3,4,5,6-pentamethylphenyl)methanol is sourced from PubChem (CID 106688821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).