1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene

C24H23ClO2 — CID 15253636

IUPAC1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene
SMILESC[C@]1(COCc2cccc(Oc3ccccc3)c2)[C@H](Cl)[C@@H]1c1ccccc1
InChIInChI=1S/C24H23ClO2/c1-24(22(23(24)25)19-10-4-2-5-11-19)17-26-16-18-9-8-14-21(15-18)27-20-12-6-3-7-13-20/h2-15,22-23H,16-17H2,1H3/t22-,23+,24+/m0/s1
InChIKeyHQTCLCNRQZJSMF-RBZQAINGSA-N
MW378.90 g/mol
LogP6.41
Rot. Bonds7

About 1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene

1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene (PubChem CID 15253636) has the molecular formula C24H23ClO2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene.

Molecular Properties

Compound Name1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene
PubChem CID15253636
Molecular FormulaC24H23ClO2
Molecular Weight378.90 g/mol
Exact Mass378.14
IUPAC Name1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene
SMILESC[C@]1(COCc2cccc(Oc3ccccc3)c2)[C@H](Cl)[C@@H]1c1ccccc1
InChIInChI=1S/C24H23ClO2/c1-24(22(23(24)25)19-10-4-2-5-11-19)17-26-16-18-9-8-14-21(15-18)27-20-12-6-3-7-13-20/h2-15,22-23H,16-17H2,1H3/t22-,23+,24+/m0/s1
InChIKeyHQTCLCNRQZJSMF-RBZQAINGSA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
6,6-dimethyl-4-[(3-phenoxyphenyl)methoxy]-3-oxabicyclo[3.1.0]hexan-2-one
CID 12889159
[3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane
CID 57193803
2-phenyl-1-(phenylmethoxymethyl)bicyclo[1.1.1]pentane
CID 176808161
(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 42640558
1-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067110
1-phenoxy-3-(4,4,4-trifluorobutoxymethyl)benzene
CID 70229700
CID 163958367
CID 163958367
(3-phenoxyphenyl)methylphosphane
CID 70930904
1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene
CID 21281086
(1S,2R,4S,5R)-6-[(3-phenoxyphenyl)methylamino]cyclohexane-1,2,3,4,5-pentol
CID 102478590

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene?
The IUPAC name of 1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene (CID 15253636) is 1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene.
What is the SMILES notation for 1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene?
The canonical SMILES for 1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene is C[C@]1(COCc2cccc(Oc3ccccc3)c2)[C@H](Cl)[C@@H]1c1ccccc1.
What is the InChIKey of 1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene?
The InChIKey is HQTCLCNRQZJSMF-RBZQAINGSA-N. The full InChI is InChI=1S/C24H23ClO2/c1-24(22(23(24)25)19-10-4-2-5-11-19)17-26-16-18-9-8-14-21(15-18)27-20-12-6-3-7-13-20/h2-15,22-23H,16-17H2,1H3/t22-,23+,24+/m0/s1.
What are the key properties of 1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene?
1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene has a molecular weight of 378.90 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R,3R)-2-chloro-1-methyl-3-phenylcyclopropyl]methoxymethyl]-3-phenoxybenzene is sourced from PubChem (CID 15253636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).