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

C18H20O2 — CID 116542515

IUPAC2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H20O2/c1-2-4-13-5-3-6-15(11-13)18(19)16-7-8-17-14(12-16)9-10-20-17/h3,5-8,11-12,18-19H,2,4,9-10H2,1H3
InChIKeyYSNGDCJBMOGSJA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.66
Rot. Bonds4

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

2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol (PubChem CID 116542515) 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-(3-propylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol
PubChem CID116542515
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H20O2/c1-2-4-13-5-3-6-15(11-13)18(19)16-7-8-17-14(12-16)9-10-20-17/h3,5-8,11-12,18-19H,2,4,9-10H2,1H3
InChIKeyYSNGDCJBMOGSJA-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.66
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
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-methylphenyl)propan-1-ol
CID 105125289
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
2,3-dihydro-1-benzofuran-5-yl-[4-(methoxymethyl)phenyl]methanol
CID 104542108
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
CID 61100079
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol (CID 116542515) is 2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol?
The InChIKey is YSNGDCJBMOGSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-4-13-5-3-6-15(11-13)18(19)16-7-8-17-14(12-16)9-10-20-17/h3,5-8,11-12,18-19H,2,4,9-10H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol has a molecular weight of 268.36 g/mol, XLogP of 3.66, 4 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-propylphenyl)methanol is sourced from PubChem (CID 116542515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).