(4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol

C14H17ClO3 — CID 79701055

IUPAC(4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
SMILESCOc1cc(C(O)C2CC3CCC2O3)ccc1Cl
InChIInChI=1S/C14H17ClO3/c1-17-13-6-8(2-4-11(13)15)14(16)10-7-9-3-5-12(10)18-9/h2,4,6,9-10,12,14,16H,3,5,7H2,1H3
InChIKeyIUAULAMUGOYRBJ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.95
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol

(4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol (PubChem CID 79701055) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
PubChem CID79701055
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name(4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
SMILESCOc1cc(C(O)C2CC3CCC2O3)ccc1Cl
InChIInChI=1S/C14H17ClO3/c1-17-13-6-8(2-4-11(13)15)14(16)10-7-9-3-5-12(10)18-9/h2,4,6,9-10,12,14,16H,3,5,7H2,1H3
InChIKeyIUAULAMUGOYRBJ-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 82838251
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
7-oxabicyclo[2.2.1]heptan-2-yl-(4-phenylphenyl)methanol
CID 65455513
(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105111122
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 114643665
(4-chloro-3-methoxyphenyl)-(thian-3-yl)methanol
CID 114283113
(4-chloro-3-methoxyphenyl)-(1,4-dithian-2-yl)methanol
CID 79971926
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
(1S,2R)-1-amino-1-(4-chloro-3-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171270141
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
(1R,2S,4R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 129378888

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol (CID 79701055) is (4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol is COc1cc(C(O)C2CC3CCC2O3)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The InChIKey is IUAULAMUGOYRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-17-13-6-8(2-4-11(13)15)14(16)10-7-9-3-5-12(10)18-9/h2,4,6,9-10,12,14,16H,3,5,7H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
(4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol has a molecular weight of 268.74 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol is sourced from PubChem (CID 79701055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).