(16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol

C14H17ClO3 — CID 79014140

IUPAC(16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
SMILESO[C@H]1CCCCc2c(Cl)cc3c(c21)OCCCO3
InChIInChI=1S/C14H17ClO3/c15-10-8-12-14(18-7-3-6-17-12)13-9(10)4-1-2-5-11(13)16/h8,11,16H,1-7H2/t11-/m0/s1
InChIKeyUZFQIVUBTJGJPD-NSHDSACASA-N
MW268.74 g/mol
LogP3.26
Rot. Bonds

About (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol

(16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol (PubChem CID 79014140) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol.

Molecular Properties

Compound Name(16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
PubChem CID79014140
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name(16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
SMILESO[C@H]1CCCCc2c(Cl)cc3c(c21)OCCCO3
InChIInChI=1S/C14H17ClO3/c15-10-8-12-14(18-7-3-6-17-12)13-9(10)4-1-2-5-11(13)16/h8,11,16H,1-7H2/t11-/m0/s1
InChIKeyUZFQIVUBTJGJPD-NSHDSACASA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol with MolForge

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Launch Full Analysis

Related Compounds

10-chloro-14,14-dimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
CID 62932992
10,16-dibromo-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-triene
CID 55223662
7-chloro-2,3,4,8,9,10-hexahydrobenzo[i][1,5]benzodioxepin-11-one
CID 62732067
10-chloro-N,14,14-trimethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
CID 62933687
8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117456067
10-bromo-N-ethyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
CID 62730255
8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 84680580
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-cyclohexylmethanol
CID 63895621
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
(4S)-5,6,8-trichloro-3,4-dihydro-2H-chromen-4-ol
CID 79014196
(5S)-7-chloro-2,3,4,5-tetrahydrobenzo[i][1]benzoxepin-5-ol
CID 79014442
2-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117456238

Frequently Asked Questions

What is the IUPAC name of (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol?
The IUPAC name of (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol (CID 79014140) is (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol.
What is the SMILES notation for (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol?
The canonical SMILES for (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol is O[C@H]1CCCCc2c(Cl)cc3c(c21)OCCCO3.
What is the InChIKey of (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol?
The InChIKey is UZFQIVUBTJGJPD-NSHDSACASA-N. The full InChI is InChI=1S/C14H17ClO3/c15-10-8-12-14(18-7-3-6-17-12)13-9(10)4-1-2-5-11(13)16/h8,11,16H,1-7H2/t11-/m0/s1.
What are the key properties of (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol?
(16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol has a molecular weight of 268.74 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol is sourced from PubChem (CID 79014140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).