4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol

C18H18O2 — CID 70414118

IUPAC4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol
SMILESCC=Cc1ccc2c(c1)C(C)C(c1ccc(O)cc1)O2
InChIInChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3
InChIKeyGXJSAHXNLJFDPO-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.66
Rot. Bonds2

About 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol

4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol (PubChem CID 70414118) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol.

Molecular Properties

Compound Name4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol
PubChem CID70414118
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol
SMILESCC=Cc1ccc2c(c1)C(C)C(c1ccc(O)cc1)O2
InChIInChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3
InChIKeyGXJSAHXNLJFDPO-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol?
The IUPAC name of 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol (CID 70414118) is 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol.
What is the SMILES notation for 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol?
The canonical SMILES for 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol is CC=Cc1ccc2c(c1)C(C)C(c1ccc(O)cc1)O2.
What is the InChIKey of 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol?
The InChIKey is GXJSAHXNLJFDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3.
What are the key properties of 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol?
4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol has a molecular weight of 266.34 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol is sourced from PubChem (CID 70414118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).