2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol

C27H24O2 — CID 58238506

IUPAC2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol
SMILESCOc1c(-c2ccccc2)cccc1C(C)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C27H24O2/c1-19(22-15-9-17-24(26(22)28)20-11-5-3-6-12-20)23-16-10-18-25(27(23)29-2)21-13-7-4-8-14-21/h3-19,28H,1-2H3
InChIKeyYTPBLXIBTCBXPE-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.89
Rot. Bonds5

About 2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol

2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol (PubChem CID 58238506) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol
PubChem CID58238506
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol
SMILESCOc1c(-c2ccccc2)cccc1C(C)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C27H24O2/c1-19(22-15-9-17-24(26(22)28)20-11-5-3-6-12-20)23-16-10-18-25(27(23)29-2)21-13-7-4-8-14-21/h3-19,28H,1-2H3
InChIKeyYTPBLXIBTCBXPE-UHFFFAOYSA-N
XLogP6.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol?
The IUPAC name of 2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol (CID 58238506) is 2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol.
What is the SMILES notation for 2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol?
The canonical SMILES for 2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol is COc1c(-c2ccccc2)cccc1C(C)c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol?
The InChIKey is YTPBLXIBTCBXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2/c1-19(22-15-9-17-24(26(22)28)20-11-5-3-6-12-20)23-16-10-18-25(27(23)29-2)21-13-7-4-8-14-21/h3-19,28H,1-2H3.
What are the key properties of 2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol?
2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol has a molecular weight of 380.49 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-3-phenylphenyl)ethyl]-6-phenylphenol is sourced from PubChem (CID 58238506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).