[2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane

C40H44O — CID 158802714

IUPAC[2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane
SMILESC.CC(c1ccccc1)c1ccc(C(C)c2cc(C(C)c3ccccc3)c(CO)c(C(C)c3ccccc3)c2)cc1
InChIInChI=1S/C39H40O.CH4/c1-27(31-14-8-5-9-15-31)34-20-22-35(23-21-34)28(2)36-24-37(29(3)32-16-10-6-11-17-32)39(26-40)38(25-36)30(4)33-18-12-7-13-19-33;/h5-25,27-30,40H,26H2,1-4H3;1H4
InChIKeyITRPQIQFGLTPNH-UHFFFAOYSA-N
MW540.79 g/mol
LogP10.42
Rot. Bonds9

About [2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane

[2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane (PubChem CID 158802714) has the molecular formula C40H44O and a molecular weight of 540.79 g/mol. Its IUPAC name is [2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane.

Molecular Properties

Compound Name[2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane
PubChem CID158802714
Molecular FormulaC40H44O
Molecular Weight540.79 g/mol
Exact Mass540.34
IUPAC Name[2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane
SMILESC.CC(c1ccccc1)c1ccc(C(C)c2cc(C(C)c3ccccc3)c(CO)c(C(C)c3ccccc3)c2)cc1
InChIInChI=1S/C39H40O.CH4/c1-27(31-14-8-5-9-15-31)34-20-22-35(23-21-34)28(2)36-24-37(29(3)32-16-10-6-11-17-32)39(26-40)38(25-36)30(4)33-18-12-7-13-19-33;/h5-25,27-30,40H,26H2,1-4H3;1H4
InChIKeyITRPQIQFGLTPNH-UHFFFAOYSA-N
XLogP10.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.79
LogP ≤ 510.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2,4-bis(1-phenylethyl)benzene
CID 3019817
ethane;methane;1-phenylethylbenzene
CID 143105414
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
CID 70559392
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene
CID 145108113
CID 59039626
CID 59039626
aluminum tris(2-carboxy-4,6-bis(1-phenylethyl)phenolate)
CID 173457169
4-[4-butan-2-yl-2-(1-phenylethyl)phenyl]phenol
CID 174821921

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane?
The IUPAC name of [2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane (CID 158802714) is [2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane.
What is the SMILES notation for [2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane?
The canonical SMILES for [2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane is C.CC(c1ccccc1)c1ccc(C(C)c2cc(C(C)c3ccccc3)c(CO)c(C(C)c3ccccc3)c2)cc1.
What is the InChIKey of [2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane?
The InChIKey is ITRPQIQFGLTPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40O.CH4/c1-27(31-14-8-5-9-15-31)34-20-22-35(23-21-34)28(2)36-24-37(29(3)32-16-10-6-11-17-32)39(26-40)38(25-36)30(4)33-18-12-7-13-19-33;/h5-25,27-30,40H,26H2,1-4H3;1H4.
What are the key properties of [2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane?
[2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane has a molecular weight of 540.79 g/mol, XLogP of 10.42, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(1-phenylethyl)-4-[1-[4-(1-phenylethyl)phenyl]ethyl]phenyl]methanol;methane is sourced from PubChem (CID 158802714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).