3-methyl-7-phenylmethoxy-1-benzofuran

C16H14O2 — CID 126750980

IUPAC3-methyl-7-phenylmethoxy-1-benzofuran
SMILESCc1coc2c(OCc3ccccc3)cccc12
InChIInChI=1S/C16H14O2/c1-12-10-18-16-14(12)8-5-9-15(16)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKeyVHWSNGLQKVCNAV-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.32
Rot. Bonds3

About 3-methyl-7-phenylmethoxy-1-benzofuran

3-methyl-7-phenylmethoxy-1-benzofuran (PubChem CID 126750980) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-methyl-7-phenylmethoxy-1-benzofuran.

Molecular Properties

Compound Name3-methyl-7-phenylmethoxy-1-benzofuran
PubChem CID126750980
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-methyl-7-phenylmethoxy-1-benzofuran
SMILESCc1coc2c(OCc3ccccc3)cccc12
InChIInChI=1S/C16H14O2/c1-12-10-18-16-14(12)8-5-9-15(16)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKeyVHWSNGLQKVCNAV-UHFFFAOYSA-N
XLogP4.32
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117181030
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
ethane;(2-methyl-3-phenylmethoxyphenyl)methanol
CID 143384106
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
1-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-phenylmethoxy-1-benzofuran?
The IUPAC name of 3-methyl-7-phenylmethoxy-1-benzofuran (CID 126750980) is 3-methyl-7-phenylmethoxy-1-benzofuran.
What is the SMILES notation for 3-methyl-7-phenylmethoxy-1-benzofuran?
The canonical SMILES for 3-methyl-7-phenylmethoxy-1-benzofuran is Cc1coc2c(OCc3ccccc3)cccc12.
What is the InChIKey of 3-methyl-7-phenylmethoxy-1-benzofuran?
The InChIKey is VHWSNGLQKVCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-12-10-18-16-14(12)8-5-9-15(16)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3.
What are the key properties of 3-methyl-7-phenylmethoxy-1-benzofuran?
3-methyl-7-phenylmethoxy-1-benzofuran has a molecular weight of 238.29 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-phenylmethoxy-1-benzofuran is sourced from PubChem (CID 126750980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).