(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol

C13H15ClO2 — CID 106859492

IUPAC(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
SMILESCc1ccc(C(O)C2=COCCC2)c(Cl)c1
InChIInChI=1S/C13H15ClO2/c1-9-4-5-11(12(14)7-9)13(15)10-3-2-6-16-8-10/h4-5,7-8,13,15H,2-3,6H2,1H3
InChIKeyYAQCZXLXZKPHNU-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.38
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol

(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol (PubChem CID 106859492) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
PubChem CID106859492
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
SMILESCc1ccc(C(O)C2=COCCC2)c(Cl)c1
InChIInChI=1S/C13H15ClO2/c1-9-4-5-11(12(14)7-9)13(15)10-3-2-6-16-8-10/h4-5,7-8,13,15H,2-3,6H2,1H3
InChIKeyYAQCZXLXZKPHNU-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 115831444
(5-chlorofuran-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 106693982
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol
CID 115831581
(4-chloro-2,5-dimethylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862759
3,4-dihydro-2H-pyran-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105124479
3,4-dihydro-2H-pyran-5-yl-(2-methoxy-3-pyridinyl)methanol
CID 105124451
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107103040
(2-chloro-4-methylphenyl)-cyclopropylmethanol
CID 58392529
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
3,4-dihydro-2H-pyran-5-yl(quinoxalin-5-yl)methanol
CID 105124475

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
The IUPAC name of (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol (CID 106859492) is (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
The canonical SMILES for (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol is Cc1ccc(C(O)C2=COCCC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
The InChIKey is YAQCZXLXZKPHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-9-4-5-11(12(14)7-9)13(15)10-3-2-6-16-8-10/h4-5,7-8,13,15H,2-3,6H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol?
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol has a molecular weight of 238.71 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanol is sourced from PubChem (CID 106859492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).