4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol

C13H11ClO2 — CID 100944396

IUPAC4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol
SMILESOC1COc2c(ccc3ccccc23)C1Cl
InChIInChI=1S/C13H11ClO2/c14-12-10-6-5-8-3-1-2-4-9(8)13(10)16-7-11(12)15/h1-6,11-12,15H,7H2
InChIKeyOAOWUSFABTYNRO-UHFFFAOYSA-N
MW234.68 g/mol
LogP2.87
Rot. Bonds

About 4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol

4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol (PubChem CID 100944396) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol.

Molecular Properties

Compound Name4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol
PubChem CID100944396
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol
SMILESOC1COc2c(ccc3ccccc23)C1Cl
InChIInChI=1S/C13H11ClO2/c14-12-10-6-5-8-3-1-2-4-9(8)13(10)16-7-11(12)15/h1-6,11-12,15H,7H2
InChIKeyOAOWUSFABTYNRO-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5S)-2,3,4,5-tetrahydrobenzo[i][1]benzoxepin-5-ol
CID 79014244
3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
CID 43537547
(11S,14R)-16-oxatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6,8-pentaen-12-one
CID 164680920
(11S,15S)-17-oxa-13-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
CID 54415078
(1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol
CID 22843614
2-methylidene-3,4-dihydrobenzo[h]chromen-4-ol
CID 177433025
(3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol
CID 71348739
1-chloro-1H-cyclopropa[a]naphthalene
CID 67741182
1,3-dihydrobenzo[e][2]benzofuran-3-ol
CID 130127539
13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102516604
[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol
CID 102377836
2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol?
The IUPAC name of 4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol (CID 100944396) is 4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol.
What is the SMILES notation for 4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol?
The canonical SMILES for 4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol is OC1COc2c(ccc3ccccc23)C1Cl.
What is the InChIKey of 4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol?
The InChIKey is OAOWUSFABTYNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c14-12-10-6-5-8-3-1-2-4-9(8)13(10)16-7-11(12)15/h1-6,11-12,15H,7H2.
What are the key properties of 4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol?
4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol has a molecular weight of 234.68 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol is sourced from PubChem (CID 100944396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).