1,4,5,6-tetrahydrochrysen-1-ol

C18H16O — CID 174835162

IUPAC1,4,5,6-tetrahydrochrysen-1-ol
SMILESOC1C=CCc2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C18H16O/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-5,7,10-11,18-19H,6,8-9H2
InChIKeyGZTYGNMPMKFBOR-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.60
Rot. Bonds

About 1,4,5,6-tetrahydrochrysen-1-ol

1,4,5,6-tetrahydrochrysen-1-ol (PubChem CID 174835162) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrochrysen-1-ol.

Molecular Properties

Compound Name1,4,5,6-tetrahydrochrysen-1-ol
PubChem CID174835162
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name1,4,5,6-tetrahydrochrysen-1-ol
SMILESOC1C=CCc2c1ccc1c2CCc2ccccc2-1
InChIInChI=1S/C18H16O/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-5,7,10-11,18-19H,6,8-9H2
InChIKeyGZTYGNMPMKFBOR-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-1,2,3,4,5,6-hexahydrochrysene
CID 174809255
1,2,3-trimethyl-1,4,5,6-tetrahydrochrysene
CID 174829865
1-bromo-9,10-dihydrophenanthrene
CID 147917753
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
3,4,5,6-tetrahydrochrysen-3-ylmethanamine
CID 174311075
9,10-dihydrophenanthrene;ethane
CID 143759681
1-propyl-3,4,5,6-tetrahydrochrysene
CID 174923290
1,4,5,6-tetrahydrochrysen-6-ol
CID 174823835
phthalic acid;3,4,5,6-tetrahydrochrysene
CID 174338796
1-methylsulfonyl-1,2,5,6-tetrahydrochrysen-4-ol
CID 174449893

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydrochrysen-1-ol?
The IUPAC name of 1,4,5,6-tetrahydrochrysen-1-ol (CID 174835162) is 1,4,5,6-tetrahydrochrysen-1-ol.
What is the SMILES notation for 1,4,5,6-tetrahydrochrysen-1-ol?
The canonical SMILES for 1,4,5,6-tetrahydrochrysen-1-ol is OC1C=CCc2c1ccc1c2CCc2ccccc2-1.
What is the InChIKey of 1,4,5,6-tetrahydrochrysen-1-ol?
The InChIKey is GZTYGNMPMKFBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c19-18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-5,7,10-11,18-19H,6,8-9H2.
What are the key properties of 1,4,5,6-tetrahydrochrysen-1-ol?
1,4,5,6-tetrahydrochrysen-1-ol has a molecular weight of 248.33 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrochrysen-1-ol is sourced from PubChem (CID 174835162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).