(2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol

C14H14Cl2O2 — CID 65152971

IUPAC(2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C14H14Cl2O2/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(15)4-5-12(11)16/h4-6,14,17H,1-3H3
InChIKeyKRVIUPFAGRHLQP-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.59
Rot. Bonds2

About (2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol

(2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 65152971) has the molecular formula C14H14Cl2O2 and a molecular weight of 285.17 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID65152971
Molecular FormulaC14H14Cl2O2
Molecular Weight285.17 g/mol
Exact Mass284.04
IUPAC Name(2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C14H14Cl2O2/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(15)4-5-12(11)16/h4-6,14,17H,1-3H3
InChIKeyKRVIUPFAGRHLQP-UHFFFAOYSA-N
XLogP4.59
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879574
(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115796955
(2,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884176
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanol
CID 61083366
(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153464
(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 63894185
(2,5-dichlorophenyl)-(furan-2-yl)methanol
CID 21387725
(2,5-dibromo-4-methylphenyl)-(2,5-dichlorophenyl)methanol
CID 81472697
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437653
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61270452
(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol
CID 62789956

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol (CID 65152971) is (2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol is Cc1oc(C)c(C(O)c2cc(Cl)ccc2Cl)c1C.
What is the InChIKey of (2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is KRVIUPFAGRHLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O2/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(15)4-5-12(11)16/h4-6,14,17H,1-3H3.
What are the key properties of (2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
(2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 285.17 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 65152971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).