(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol

C14H18Cl2O2 — CID 65157693

IUPAC(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2ccc(Cl)cc2Cl)C1C
InChIInChI=1S/C14H18Cl2O2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-9,13-14,17H,1-3H3
InChIKeyFIWBZEQJPRCYDQ-UHFFFAOYSA-N
MW289.20 g/mol
LogP4.09
Rot. Bonds2

About (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol

(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 65157693) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID65157693
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2ccc(Cl)cc2Cl)C1C
InChIInChI=1S/C14H18Cl2O2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-9,13-14,17H,1-3H3
InChIKeyFIWBZEQJPRCYDQ-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115827775
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156692
(4-bromo-5-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 105399546
2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 115862951
naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157994
3-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2,4,5-trimethyloxolane
CID 104546511
(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115823700
3-[bromo-(2-chloro-4-fluoro-5-methylphenyl)methyl]-2,4,5-trimethyloxolane
CID 81050749
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 102710226
(2,3,4,5,6-pentamethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160661
2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115785318
[4-(2-methylpropyl)phenyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160016

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol (CID 65157693) is (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is CC1OC(C)C(C(O)c2ccc(Cl)cc2Cl)C1C.
What is the InChIKey of (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is FIWBZEQJPRCYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(15)6-12(11)16/h4-9,13-14,17H,1-3H3.
What are the key properties of (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol?
(2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 289.20 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 65157693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).