1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol

C19H20O2 — CID 105129309

IUPAC1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
SMILESCc1cccc2cc(C(O)CCCc3ccccc3)oc12
InChIInChI=1S/C19H20O2/c1-14-7-5-11-16-13-18(21-19(14)16)17(20)12-6-10-15-8-3-2-4-9-15/h2-5,7-9,11,13,17,20H,6,10,12H2,1H3
InChIKeyUBXAEUFUPZDZAT-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.80
Rot. Bonds5

About 1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol

1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol (PubChem CID 105129309) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
PubChem CID105129309
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
SMILESCc1cccc2cc(C(O)CCCc3ccccc3)oc12
InChIInChI=1S/C19H20O2/c1-14-7-5-11-16-13-18(21-19(14)16)17(20)12-6-10-15-8-3-2-4-9-15/h2-5,7-9,11,13,17,20H,6,10,12H2,1H3
InChIKeyUBXAEUFUPZDZAT-UHFFFAOYSA-N
XLogP4.80
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129255
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
CID 114726451
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
CID 114726335
3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 103147842
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
(1S)-1-(7-methyl-1-benzofuran-2-yl)-2-nitroethanol
CID 132500627
1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726617
2-(7-methyl-1-benzofuran-2-yl)butanoic acid
CID 82614755
3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052
1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
CID 115791080

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol (CID 105129309) is 1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol is Cc1cccc2cc(C(O)CCCc3ccccc3)oc12.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol?
The InChIKey is UBXAEUFUPZDZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-14-7-5-11-16-13-18(21-19(14)16)17(20)12-6-10-15-8-3-2-4-9-15/h2-5,7-9,11,13,17,20H,6,10,12H2,1H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol?
1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol is sourced from PubChem (CID 105129309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).