3-(2,4-dichlorophenyl)-2-methylheptan-3-ol

C14H20Cl2O — CID 139474082

IUPAC3-(2,4-dichlorophenyl)-2-methylheptan-3-ol
SMILESCCCCC(O)(c1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C14H20Cl2O/c1-4-5-8-14(17,10(2)3)12-7-6-11(15)9-13(12)16/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyXRCWOKHWBGFNCU-UHFFFAOYSA-N
MW275.22 g/mol
LogP5.03
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-2-methylheptan-3-ol

3-(2,4-dichlorophenyl)-2-methylheptan-3-ol (PubChem CID 139474082) has the molecular formula C14H20Cl2O and a molecular weight of 275.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-methylheptan-3-ol.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-methylheptan-3-ol
PubChem CID139474082
Molecular FormulaC14H20Cl2O
Molecular Weight275.22 g/mol
Exact Mass274.09
IUPAC Name3-(2,4-dichlorophenyl)-2-methylheptan-3-ol
SMILESCCCCC(O)(c1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C14H20Cl2O/c1-4-5-8-14(17,10(2)3)12-7-6-11(15)9-13(12)16/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKeyXRCWOKHWBGFNCU-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.22
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
1-(5-chloro-2-methylphenyl)-1-fluoropentan-1-ol
CID 59875248
(2R)-2-(2,4-dichlorophenyl)-3-methylbutan-2-amine
CID 131150424
2-(2,4-dichlorophenyl)-2-propylpentan-1-amine
CID 63515518
(2R,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 139826164
(2S,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 57016379
(2R,3S)-2-(2,4-dichlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)pentane-2,4-diol
CID 57249009
2-(2,4-dichlorophenyl)-2-methoxypentan-1-ol
CID 23039737
3-(2,4-dichlorophenyl)-4-iodo-1-(1,2,4-triazol-1-yl)pentan-3-ol
CID 163481118
2-(2,4-dichlorophenyl)-2-ethoxypentan-1-ol
CID 23039690
3-(2,4-dichlorophenyl)pentan-3-amine
CID 60987757

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-methylheptan-3-ol?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-methylheptan-3-ol (CID 139474082) is 3-(2,4-dichlorophenyl)-2-methylheptan-3-ol.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-methylheptan-3-ol?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-methylheptan-3-ol is CCCCC(O)(c1ccc(Cl)cc1Cl)C(C)C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-methylheptan-3-ol?
The InChIKey is XRCWOKHWBGFNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O/c1-4-5-8-14(17,10(2)3)12-7-6-11(15)9-13(12)16/h6-7,9-10,17H,4-5,8H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-2-methylheptan-3-ol?
3-(2,4-dichlorophenyl)-2-methylheptan-3-ol has a molecular weight of 275.22 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2-methylheptan-3-ol is sourced from PubChem (CID 139474082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).