2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol

C20H24O3 — CID 15160985

IUPAC2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1cc2c(cc1O)C(C)C(Cc1ccc(OC)cc1)O2
InChIInChI=1S/C20H24O3/c1-4-5-15-11-20-17(12-18(15)21)13(2)19(23-20)10-14-6-8-16(22-3)9-7-14/h6-9,11-13,19,21H,4-5,10H2,1-3H3
InChIKeyZFVTXNKIVWXHKR-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.46
Rot. Bonds5

About 2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol

2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 15160985) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID15160985
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1cc2c(cc1O)C(C)C(Cc1ccc(OC)cc1)O2
InChIInChI=1S/C20H24O3/c1-4-5-15-11-20-17(12-18(15)21)13(2)19(23-20)10-14-6-8-16(22-3)9-7-14/h6-9,11-13,19,21H,4-5,10H2,1-3H3
InChIKeyZFVTXNKIVWXHKR-UHFFFAOYSA-N
XLogP4.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol (CID 15160985) is 2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol is CCCc1cc2c(cc1O)C(C)C(Cc1ccc(OC)cc1)O2.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is ZFVTXNKIVWXHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-4-5-15-11-20-17(12-18(15)21)13(2)19(23-20)10-14-6-8-16(22-3)9-7-14/h6-9,11-13,19,21H,4-5,10H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 312.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 15160985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).