2-(2-phenylmethoxyphenyl)adamantane

C23H26O — CID 19890650

IUPAC2-(2-phenylmethoxyphenyl)adamantane
SMILESc1ccc(COc2ccccc2C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C23H26O/c1-2-6-16(7-3-1)15-24-22-9-5-4-8-21(22)23-19-11-17-10-18(13-19)14-20(23)12-17/h1-9,17-20,23H,10-15H2
InChIKeyDQIJTVBGDDWUSD-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.81
Rot. Bonds4

About 2-(2-phenylmethoxyphenyl)adamantane

2-(2-phenylmethoxyphenyl)adamantane (PubChem CID 19890650) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(2-phenylmethoxyphenyl)adamantane.

Molecular Properties

Compound Name2-(2-phenylmethoxyphenyl)adamantane
PubChem CID19890650
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name2-(2-phenylmethoxyphenyl)adamantane
SMILESc1ccc(COc2ccccc2C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C23H26O/c1-2-6-16(7-3-1)15-24-22-9-5-4-8-21(22)23-19-11-17-10-18(13-19)14-20(23)12-17/h1-9,17-20,23H,10-15H2
InChIKeyDQIJTVBGDDWUSD-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-phenylmethoxyphenyl)azetidine
CID 130043680
trans-(1R,2S)-2-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 18653088
benzyl formate;2-phenyladamantane
CID 162139148
(4R)-4-(2-phenylmethoxyphenyl)-1,3-oxazinan-2-one
CID 171185374
ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 163370228
N-phenylmethoxyadamantan-2-amine
CID 15552592
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 4721719
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721649
1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine
CID 3953341
4-bromo-2-(2,2-difluorocyclopropyl)-1-phenylmethoxybenzene
CID 156555603
2-cyclopropyl-3-phenylmethoxyaniline
CID 171391047
2-adamantyl dibenzyl phosphate
CID 102280168

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyphenyl)adamantane?
The IUPAC name of 2-(2-phenylmethoxyphenyl)adamantane (CID 19890650) is 2-(2-phenylmethoxyphenyl)adamantane.
What is the SMILES notation for 2-(2-phenylmethoxyphenyl)adamantane?
The canonical SMILES for 2-(2-phenylmethoxyphenyl)adamantane is c1ccc(COc2ccccc2C2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 2-(2-phenylmethoxyphenyl)adamantane?
The InChIKey is DQIJTVBGDDWUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-2-6-16(7-3-1)15-24-22-9-5-4-8-21(22)23-19-11-17-10-18(13-19)14-20(23)12-17/h1-9,17-20,23H,10-15H2.
What are the key properties of 2-(2-phenylmethoxyphenyl)adamantane?
2-(2-phenylmethoxyphenyl)adamantane has a molecular weight of 318.46 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyphenyl)adamantane is sourced from PubChem (CID 19890650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).