(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol

C12H14Cl2O2 — CID 115792974

IUPAC(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
SMILESCC1OCCC1C(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2O2/c1-7-8(5-6-16-7)12(15)9-3-2-4-10(13)11(9)14/h2-4,7-8,12,15H,5-6H2,1H3
InChIKeyKUAJZINQBAHRTC-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.45
Rot. Bonds2

About (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol

(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol (PubChem CID 115792974) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
PubChem CID115792974
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
SMILESCC1OCCC1C(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2O2/c1-7-8(5-6-16-7)12(15)9-3-2-4-10(13)11(9)14/h2-4,7-8,12,15H,5-6H2,1H3
InChIKeyKUAJZINQBAHRTC-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115851414
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115793140
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851413
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
(2-chlorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 115801573
(2-methyloxolan-3-yl)-quinolin-8-ylmethanol
CID 115826838
(7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 81153940
cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763146
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 79762717
(5-fluoro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763340
(4-bromo-2,5-difluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 79763696

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol?
The IUPAC name of (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol (CID 115792974) is (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol.
What is the SMILES notation for (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol?
The canonical SMILES for (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol is CC1OCCC1C(O)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol?
The InChIKey is KUAJZINQBAHRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-7-8(5-6-16-7)12(15)9-3-2-4-10(13)11(9)14/h2-4,7-8,12,15H,5-6H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol?
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol has a molecular weight of 261.15 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol is sourced from PubChem (CID 115792974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).