1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene

C20H20Cl2O — CID 139592650

IUPAC1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene
SMILESClc1ccc(C(OC(c2ccc(Cl)cc2)C2CC2)C2CC2)cc1
InChIInChI=1S/C20H20Cl2O/c21-17-9-5-15(6-10-17)19(13-1-2-13)23-20(14-3-4-14)16-7-11-18(22)12-8-16/h5-14,19-20H,1-4H2
InChIKeyZFZJAHZQICJDAK-UHFFFAOYSA-N
MW347.29 g/mol
LogP6.61
Rot. Bonds6

About 1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene

1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene (PubChem CID 139592650) has the molecular formula C20H20Cl2O and a molecular weight of 347.29 g/mol. Its IUPAC name is 1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene
PubChem CID139592650
Molecular FormulaC20H20Cl2O
Molecular Weight347.29 g/mol
Exact Mass346.09
IUPAC Name1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene
SMILESClc1ccc(C(OC(c2ccc(Cl)cc2)C2CC2)C2CC2)cc1
InChIInChI=1S/C20H20Cl2O/c21-17-9-5-15(6-10-17)19(13-1-2-13)23-20(14-3-4-14)16-7-11-18(22)12-8-16/h5-14,19-20H,1-4H2
InChIKeyZFZJAHZQICJDAK-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.29
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(4-chlorophenyl)-cyclopropylmethyl] methanesulfonate
CID 102620658
2-[(4-chlorophenyl)-propan-2-yloxymethyl]oxirane
CID 54042646
1-chloro-4-[1-(1-cyclopropylethoxy)-2-iodoethyl]benzene
CID 165494505
3-[(R)-(4-chlorophenyl)-methoxymethyl]azetidine
CID 71516194
1-(1-bromo-2-cyclopropylethyl)-4-chlorobenzene
CID 63437413
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
(4-chlorophenyl)-cyclopropylmethanesulfonamide
CID 62085112
[(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate
CID 126599768
[(4-chlorophenyl)-piperidin-4-ylmethyl] 2,2-dimethylpropanoate
CID 174613743
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene?
The IUPAC name of 1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene (CID 139592650) is 1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene.
What is the SMILES notation for 1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene?
The canonical SMILES for 1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene is Clc1ccc(C(OC(c2ccc(Cl)cc2)C2CC2)C2CC2)cc1.
What is the InChIKey of 1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene?
The InChIKey is ZFZJAHZQICJDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2O/c21-17-9-5-15(6-10-17)19(13-1-2-13)23-20(14-3-4-14)16-7-11-18(22)12-8-16/h5-14,19-20H,1-4H2.
What are the key properties of 1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene?
1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene has a molecular weight of 347.29 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene is sourced from PubChem (CID 139592650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).