2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol

C24H26O2 — CID 57154102

IUPAC2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol
SMILESCCCc1cc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)c(OC)c1O
InChIInChI=1S/C24H26O2/c1-5-6-20-15-21(18-11-7-16(2)8-12-18)22(24(26-4)23(20)25)19-13-9-17(3)10-14-19/h7-15,25H,5-6H2,1-4H3
InChIKeyGCPWDPWIVAZFSK-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.30
Rot. Bonds5

About 2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol

2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol (PubChem CID 57154102) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol.

Molecular Properties

Compound Name2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol
PubChem CID57154102
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol
SMILESCCCc1cc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)c(OC)c1O
InChIInChI=1S/C24H26O2/c1-5-6-20-15-21(18-11-7-16(2)8-12-18)22(24(26-4)23(20)25)19-13-9-17(3)10-14-19/h7-15,25H,5-6H2,1-4H3
InChIKeyGCPWDPWIVAZFSK-UHFFFAOYSA-N
XLogP6.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol?
The IUPAC name of 2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol (CID 57154102) is 2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol.
What is the SMILES notation for 2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol?
The canonical SMILES for 2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol is CCCc1cc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)c(OC)c1O.
What is the InChIKey of 2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol?
The InChIKey is GCPWDPWIVAZFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-5-6-20-15-21(18-11-7-16(2)8-12-18)22(24(26-4)23(20)25)19-13-9-17(3)10-14-19/h7-15,25H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol?
2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol has a molecular weight of 346.47 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol is sourced from PubChem (CID 57154102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).