4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol

C18H20O2 — CID 71597987

IUPAC4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol
SMILESCCCc1ccc2c(c1)[C@@H](C)[C@H](c1ccc(O)cc1)O2
InChIInChI=1S/C18H20O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h5-12,18-19H,3-4H2,1-2H3/t12-,18-/m1/s1
InChIKeySBDNITWSWQNNGW-KZULUSFZSA-N
MW268.36 g/mol
LogP4.58
Rot. Bonds3

About 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol

4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol (PubChem CID 71597987) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol.

Molecular Properties

Compound Name4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol
PubChem CID71597987
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol
SMILESCCCc1ccc2c(c1)[C@@H](C)[C@H](c1ccc(O)cc1)O2
InChIInChI=1S/C18H20O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h5-12,18-19H,3-4H2,1-2H3/t12-,18-/m1/s1
InChIKeySBDNITWSWQNNGW-KZULUSFZSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol?
The IUPAC name of 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol (CID 71597987) is 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol.
What is the SMILES notation for 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol?
The canonical SMILES for 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol is CCCc1ccc2c(c1)[C@@H](C)[C@H](c1ccc(O)cc1)O2.
What is the InChIKey of 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol?
The InChIKey is SBDNITWSWQNNGW-KZULUSFZSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h5-12,18-19H,3-4H2,1-2H3/t12-,18-/m1/s1.
What are the key properties of 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol?
4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol has a molecular weight of 268.36 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 71597987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).