2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol

C18H20O2 — CID 61100080

IUPAC2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2ccc3c(c2)CCO3)c(C)c1
InChIInChI=1S/C18H20O2/c1-11-8-12(2)17(13(3)9-11)18(19)15-4-5-16-14(10-15)6-7-20-16/h4-5,8-10,18-19H,6-7H2,1-3H3
InChIKeyHNYRUXVMZBHMOT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.63
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol

2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol (PubChem CID 61100080) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
PubChem CID61100080
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2ccc3c(c2)CCO3)c(C)c1
InChIInChI=1S/C18H20O2/c1-11-8-12(2)17(13(3)9-11)18(19)15-4-5-16-14(10-15)6-7-20-16/h4-5,8-10,18-19H,6-7H2,1-3H3
InChIKeyHNYRUXVMZBHMOT-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 82799951
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
(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
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922
(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 104817396
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 114560436

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol (CID 61100080) is 2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2ccc3c(c2)CCO3)c(C)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol?
The InChIKey is HNYRUXVMZBHMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-11-8-12(2)17(13(3)9-11)18(19)15-4-5-16-14(10-15)6-7-20-16/h4-5,8-10,18-19H,6-7H2,1-3H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol has a molecular weight of 268.36 g/mol, XLogP of 3.63, 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-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 61100080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).