(4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol

C16H13ClF2O2 — CID 82771936

IUPAC(4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCC1Cc2cc(C(O)c3cc(F)c(Cl)cc3F)ccc2O1
InChIInChI=1S/C16H13ClF2O2/c1-8-4-10-5-9(2-3-15(10)21-8)16(20)11-6-14(19)12(17)7-13(11)18/h2-3,5-8,16,20H,4H2,1H3
InChIKeyZSJAHTBDEXHBRP-UHFFFAOYSA-N
MW310.73 g/mol
LogP4.02
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol

(4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 82771936) has the molecular formula C16H13ClF2O2 and a molecular weight of 310.73 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID82771936
Molecular FormulaC16H13ClF2O2
Molecular Weight310.73 g/mol
Exact Mass310.06
IUPAC Name(4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCC1Cc2cc(C(O)c3cc(F)c(Cl)cc3F)ccc2O1
InChIInChI=1S/C16H13ClF2O2/c1-8-4-10-5-9(2-3-15(10)21-8)16(20)11-6-14(19)12(17)7-13(11)18/h2-3,5-8,16,20H,4H2,1H3
InChIKeyZSJAHTBDEXHBRP-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61081247
(2-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61082038
5-[chloro-(2,4,6-trifluorophenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 65100289
1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43487238
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61081834
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 82890400
5-[1-bromo-2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63442471
(2,5-dichlorothiophen-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107960594
5-[bromo-(2-chloro-4-methylphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 106863093

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol (CID 82771936) is (4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol is CC1Cc2cc(C(O)c3cc(F)c(Cl)cc3F)ccc2O1.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is ZSJAHTBDEXHBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O2/c1-8-4-10-5-9(2-3-15(10)21-8)16(20)11-6-14(19)12(17)7-13(11)18/h2-3,5-8,16,20H,4H2,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
(4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 310.73 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 82771936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).