2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol

C28H22O — CID 175438347

IUPAC2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol
SMILESOc1c(-c2cccc3c4c(ccc23)C2=C(CCC=C2)CC4)ccc2ccccc12
InChIInChI=1S/C28H22O/c29-28-21-9-4-2-7-19(21)13-15-27(28)23-11-5-10-22-25-14-12-18-6-1-3-8-20(18)24(25)16-17-26(22)23/h2-5,7-11,13,15-17,29H,1,6,12,14H2
InChIKeyQNNZTURZXHQBBF-UHFFFAOYSA-N
MW374.48 g/mol
LogP7.42
Rot. Bonds1

About 2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol

2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol (PubChem CID 175438347) has the molecular formula C28H22O and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol
PubChem CID175438347
Molecular FormulaC28H22O
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol
SMILESOc1c(-c2cccc3c4c(ccc23)C2=C(CCC=C2)CC4)ccc2ccccc12
InChIInChI=1S/C28H22O/c29-28-21-9-4-2-7-19(21)13-15-27(28)23-11-5-10-22-25-14-12-18-6-1-3-8-20(18)24(25)16-17-26(22)23/h2-5,7-11,13,15-17,29H,1,6,12,14H2
InChIKeyQNNZTURZXHQBBF-UHFFFAOYSA-N
XLogP7.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene
CID 174408261
7-ethyl-1,2,11,12-tetrahydrochrysene
CID 174435742
(2S)-2-amino-3-[2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-yl]oxypentanedioic acid
CID 174367329
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285
4,5-dihydro-1,3-oxazole;1,2,11,12-tetrahydrochrysene
CID 174610668
cinnoline;1,2,11,12-tetrahydrochrysene
CID 174316438
benzo[e]benzimidazol-2-one;7-ethyl-1,2,11,12-tetrahydrochrysene
CID 174435741
10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene
CID 174797668
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712080
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;dihydrochloride
CID 174697585
1,6-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712744
1-(5,6,7,8-tetrahydrochrysen-1-yl)pyrrole
CID 174854598

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol?
The IUPAC name of 2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol (CID 175438347) is 2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol.
What is the SMILES notation for 2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol?
The canonical SMILES for 2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol is Oc1c(-c2cccc3c4c(ccc23)C2=C(CCC=C2)CC4)ccc2ccccc12.
What is the InChIKey of 2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol?
The InChIKey is QNNZTURZXHQBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O/c29-28-21-9-4-2-7-19(21)13-15-27(28)23-11-5-10-22-25-14-12-18-6-1-3-8-20(18)24(25)16-17-26(22)23/h2-5,7-11,13,15-17,29H,1,6,12,14H2.
What are the key properties of 2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol?
2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol has a molecular weight of 374.48 g/mol, XLogP of 7.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol is sourced from PubChem (CID 175438347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).