1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene

C16H14Cl2O — CID 125154534

IUPAC1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
SMILESClC1(Cl)C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14Cl2O/c17-16(18)10-15(16)13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1
InChIKeyJTGHWSYXPFVBIV-HNNXBMFYSA-N
MW293.19 g/mol
LogP4.93
Rot. Bonds4

About 1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene

1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene (PubChem CID 125154534) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
PubChem CID125154534
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
SMILESClC1(Cl)C[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14Cl2O/c17-16(18)10-15(16)13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1
InChIKeyJTGHWSYXPFVBIV-HNNXBMFYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol
CID 81416557
2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
CID 21421702
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]-1,3-dithiane
CID 19989566
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
(4-phenylmethoxyphenyl) hypobromite
CID 151898979

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene (CID 125154534) is 1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene is ClC1(Cl)C[C@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene?
The InChIKey is JTGHWSYXPFVBIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c17-16(18)10-15(16)13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1.
What are the key properties of 1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene?
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene has a molecular weight of 293.19 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 125154534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).