4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol

C17H17ClO3 — CID 53381201

IUPAC4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol
SMILESCO[C@H](c1cc(Cl)ccc1O)[C@H]1CCc2ccccc2O1
InChIInChI=1S/C17H17ClO3/c1-20-17(13-10-12(18)7-8-14(13)19)16-9-6-11-4-2-3-5-15(11)21-16/h2-5,7-8,10,16-17,19H,6,9H2,1H3/t16-,17-/m1/s1
InChIKeyKYWFXXPNPBYLGR-IAGOWNOFSA-N
MW304.77 g/mol
LogP4.13
Rot. Bonds3

About 4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol

4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol (PubChem CID 53381201) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol
PubChem CID53381201
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol
SMILESCO[C@H](c1cc(Cl)ccc1O)[C@H]1CCc2ccccc2O1
InChIInChI=1S/C17H17ClO3/c1-20-17(13-10-12(18)7-8-14(13)19)16-9-6-11-4-2-3-5-15(11)21-16/h2-5,7-8,10,16-17,19H,6,9H2,1H3/t16-,17-/m1/s1
InChIKeyKYWFXXPNPBYLGR-IAGOWNOFSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61081025
4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol
CID 123628917
2-(1-ethoxyethyl)-3,4-dihydro-2H-chromene
CID 71175002
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyacetonitrile
CID 54763538
4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol
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4-chloro-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 82975216
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200866
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
4-chloro-2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
CID 82983699
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582
methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
CID 171217153
2,3-dihydro-1-benzofuran-2-yl-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83044772

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol?
The IUPAC name of 4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol (CID 53381201) is 4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol?
The canonical SMILES for 4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol is CO[C@H](c1cc(Cl)ccc1O)[C@H]1CCc2ccccc2O1.
What is the InChIKey of 4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol?
The InChIKey is KYWFXXPNPBYLGR-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-20-17(13-10-12(18)7-8-14(13)19)16-9-6-11-4-2-3-5-15(11)21-16/h2-5,7-8,10,16-17,19H,6,9H2,1H3/t16-,17-/m1/s1.
What are the key properties of 4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol?
4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol has a molecular weight of 304.77 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol is sourced from PubChem (CID 53381201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).