(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol

C9H9ClO2 — CID 79002138

IUPAC(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2cc(Cl)ccc21
InChIInChI=1S/C9H9ClO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,11H,3-4H2/t8-/m1/s1
InChIKeyCTDYKWYKIBZVPN-MRVPVSSYSA-N
MW184.62 g/mol
LogP2.16
Rot. Bonds

About (4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol

(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 79002138) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is (4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol
PubChem CID79002138
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2cc(Cl)ccc21
InChIInChI=1S/C9H9ClO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,11H,3-4H2/t8-/m1/s1
InChIKeyCTDYKWYKIBZVPN-MRVPVSSYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15148408
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CID 130741729
(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol
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7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
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(4R)-7-(methylamino)-3,4-dihydro-2H-chromen-4-ol
CID 69173568
(4R)-7-ethyl-3,4-dihydro-2H-chromen-4-ol
CID 69174288
1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 54133919
7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 81481829
7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79982699
1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)piperazine
CID 71242640
(4S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403844

Frequently Asked Questions

What is the IUPAC name of (4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol (CID 79002138) is (4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CCOc2cc(Cl)ccc21.
What is the InChIKey of (4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is CTDYKWYKIBZVPN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,11H,3-4H2/t8-/m1/s1.
What are the key properties of (4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol?
(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 184.62 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 79002138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).