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

C17H18O2 — CID 61099414

IUPAC2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
SMILESCc1cc(C)cc(C(O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H18O2/c1-11-7-12(2)9-15(8-11)17(18)14-3-4-16-13(10-14)5-6-19-16/h3-4,7-10,17-18H,5-6H2,1-2H3
InChIKeyYZIHISWPMXILFH-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.32
Rot. Bonds2

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

2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol (PubChem CID 61099414) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
PubChem CID61099414
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
SMILESCc1cc(C)cc(C(O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C17H18O2/c1-11-7-12(2)9-15(8-11)17(18)14-3-4-16-13(10-14)5-6-19-16/h3-4,7-10,17-18H,5-6H2,1-2H3
InChIKeyYZIHISWPMXILFH-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3,5-dimethylphenyl)methanol
CID 61101261
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
2,3-dihydro-1-benzofuran-5-yl-[4-(methoxymethyl)phenyl]methanol
CID 104542108
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 62198679

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol (CID 61099414) is 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol is Cc1cc(C)cc(C(O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol?
The InChIKey is YZIHISWPMXILFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-7-12(2)9-15(8-11)17(18)14-3-4-16-13(10-14)5-6-19-16/h3-4,7-10,17-18H,5-6H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol has a molecular weight of 254.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol is sourced from PubChem (CID 61099414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).