1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene

C23H32O — CID 141065806

IUPAC1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
SMILESCCCCCCCC(C)(C)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H32O/c1-4-5-6-7-11-17-23(2,3)21-15-12-16-22(18-21)24-19-20-13-9-8-10-14-20/h8-10,12-16,18H,4-7,11,17,19H2,1-3H3
InChIKeyTWIHLTOFPDOGOT-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.90
Rot. Bonds10

About 1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene

1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene (PubChem CID 141065806) has the molecular formula C23H32O and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
PubChem CID141065806
Molecular FormulaC23H32O
Molecular Weight324.51 g/mol
Exact Mass324.25
IUPAC Name1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
SMILESCCCCCCCC(C)(C)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H32O/c1-4-5-6-7-11-17-23(2,3)21-15-12-16-22(18-21)24-19-20-13-9-8-10-14-20/h8-10,12-16,18H,4-7,11,17,19H2,1-3H3
InChIKeyTWIHLTOFPDOGOT-UHFFFAOYSA-N
XLogP6.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

phenoxymethylbenzene;tetradecane
CID 175006528
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
1-(2-methyl-1-prop-2-enoxypropan-2-yl)-3-phenylmethoxybenzene
CID 59204436
N-[2-methyl-2-(3-phenylmethoxyphenyl)propyl]propanamide
CID 118609735
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
1-phenylmethoxy-3-propylbenzene
CID 58977798
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
(1R,3S,4R)-4-methyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexan-1-ol
CID 54069720
3-methyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohex-2-en-1-one
CID 12788294
trans-(3R,4R)-4-methyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexan-1-one
CID 70528766
3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cycloheptan-1-one
CID 19855395
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene?
The IUPAC name of 1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene (CID 141065806) is 1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene.
What is the SMILES notation for 1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene?
The canonical SMILES for 1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene is CCCCCCCC(C)(C)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene?
The InChIKey is TWIHLTOFPDOGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O/c1-4-5-6-7-11-17-23(2,3)21-15-12-16-22(18-21)24-19-20-13-9-8-10-14-20/h8-10,12-16,18H,4-7,11,17,19H2,1-3H3.
What are the key properties of 1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene?
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene has a molecular weight of 324.51 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene is sourced from PubChem (CID 141065806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).