dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol

C17H20Cl2O2 — CID 160602999

IUPACdichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol
SMILESCc1ccc(C=O)cc1.Cc1ccc(CO)cc1.ClCCl
InChIInChI=1S/C8H10O.C8H8O.CH2Cl2/c2*1-7-2-4-8(6-9)5-3-7;2-1-3/h2-5,9H,6H2,1H3;2-6H,1H3;1H2
InChIKeyRENGOMZJHLWOQW-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.72
Rot. Bonds2

About dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol

dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol (PubChem CID 160602999) has the molecular formula C17H20Cl2O2 and a molecular weight of 327.25 g/mol. Its IUPAC name is dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol.

Molecular Properties

Compound Namedichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol
PubChem CID160602999
Molecular FormulaC17H20Cl2O2
Molecular Weight327.25 g/mol
Exact Mass326.08
IUPAC Namedichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol
SMILESCc1ccc(C=O)cc1.Cc1ccc(CO)cc1.ClCCl
InChIInChI=1S/C8H10O.C8H8O.CH2Cl2/c2*1-7-2-4-8(6-9)5-3-7;2-1-3/h2-5,9H,6H2,1H3;2-6H,1H3;1H2
InChIKeyRENGOMZJHLWOQW-UHFFFAOYSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
(4-methylphenyl)methanol
CID 138734499
ethane;4-methylbenzaldehyde;2-(4-methylphenyl)acetaldehyde
CID 142611511
sodium;hydride;4-methylbenzaldehyde
CID 173013137
ethane;(4-methylphenyl)methanol;hydrate
CID 144684706
[4-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]phenyl]methanol
CID 121329886
4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol
CID 159042728
benzaldehyde;phenylmethanol
CID 87934574
1,1,1,3,3,3-hexachloropropan-2-one;(4-methylphenyl)methanol
CID 91571540
4-[(4-methylphenyl)methylamino]benzaldehyde
CID 89270360
1-[4-(hydroxymethyl)phenyl]pentane-1,4-dione;4-(4-oxopentanoyl)benzaldehyde
CID 158398073
1-(iodomethyl)-4-methylbenzene;(4-methylphenyl)methanol
CID 157395568

Frequently Asked Questions

What is the IUPAC name of dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol?
The IUPAC name of dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol (CID 160602999) is dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol.
What is the SMILES notation for dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol?
The canonical SMILES for dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol is Cc1ccc(C=O)cc1.Cc1ccc(CO)cc1.ClCCl.
What is the InChIKey of dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol?
The InChIKey is RENGOMZJHLWOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C8H8O.CH2Cl2/c2*1-7-2-4-8(6-9)5-3-7;2-1-3/h2-5,9H,6H2,1H3;2-6H,1H3;1H2.
What are the key properties of dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol?
dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol has a molecular weight of 327.25 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;4-methylbenzaldehyde;(4-methylphenyl)methanol is sourced from PubChem (CID 160602999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).