1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol

C17H18O2 — CID 63020951

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc3c(c2)COC3)c(C)c1
InChIInChI=1S/C17H18O2/c1-11-3-6-16(12(2)7-11)17(18)13-4-5-14-9-19-10-15(14)8-13/h3-8,17-18H,9-10H2,1-2H3
InChIKeyWYCILQKNCYDETR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.42
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol

1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol (PubChem CID 63020951) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol
PubChem CID63020951
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc3c(c2)COC3)c(C)c1
InChIInChI=1S/C17H18O2/c1-11-3-6-16(12(2)7-11)17(18)13-4-5-14-9-19-10-15(14)8-13/h3-8,17-18H,9-10H2,1-2H3
InChIKeyWYCILQKNCYDETR-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
CID 63743179
1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol
CID 115817753
(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81045709
5-[bromo-(2,5-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144437
(2-chlorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63021648
1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 63019197
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
CID 63021652
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204
5-[bromo-(3,4-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144438
[3-(difluoromethyl)phenyl]-(2,4-dimethylphenyl)methanol
CID 115527668

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol (CID 63020951) is 1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol is Cc1ccc(C(O)c2ccc3c(c2)COC3)c(C)c1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol?
The InChIKey is WYCILQKNCYDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-3-6-16(12(2)7-11)17(18)13-4-5-14-9-19-10-15(14)8-13/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol?
1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol has a molecular weight of 254.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol is sourced from PubChem (CID 63020951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).