2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol

C16H16Cl2O2 — CID 164893153

IUPAC2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol
SMILESCc1cc(OCc2ccccc2)cc(C(O)C(Cl)Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-11-7-13(15(19)16(17)18)9-14(8-11)20-10-12-5-3-2-4-6-12/h2-9,15-16,19H,10H2,1H3
InChIKeyGXRZHRMALHFJTQ-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.41
Rot. Bonds5

About 2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol

2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol (PubChem CID 164893153) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol
PubChem CID164893153
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol
SMILESCc1cc(OCc2ccccc2)cc(C(O)C(Cl)Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-11-7-13(15(19)16(17)18)9-14(8-11)20-10-12-5-3-2-4-6-12/h2-9,15-16,19H,10H2,1H3
InChIKeyGXRZHRMALHFJTQ-UHFFFAOYSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
2,2-dichloro-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 164893082
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethanol
CID 11640220
1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-3-[[3-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[(3-methyl-5-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 58661558
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
[3,5-bis(phenylmethoxy)phenyl]-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]methanol
CID 142635460
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
CID 102940828
[2-(3-methyl-5-phenylmethoxyphenyl)phenyl]methanol
CID 70087922
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol (CID 164893153) is 2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol is Cc1cc(OCc2ccccc2)cc(C(O)C(Cl)Cl)c1.
What is the InChIKey of 2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol?
The InChIKey is GXRZHRMALHFJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-11-7-13(15(19)16(17)18)9-14(8-11)20-10-12-5-3-2-4-6-12/h2-9,15-16,19H,10H2,1H3.
What are the key properties of 2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol?
2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol has a molecular weight of 311.21 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(3-methyl-5-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 164893153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).