2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol

C19H17IO — CID 174532858

IUPAC2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol
SMILESCC1=c2ccc3c(c2CCC1)CC=c1c(O)c(I)ccc1=3
InChIInChI=1S/C19H17IO/c1-11-3-2-4-13-12(11)5-6-15-14(13)7-8-17-16(15)9-10-18(20)19(17)21/h5-6,8-10,21H,2-4,7H2,1H3
InChIKeyYMAOJXJDLIOEAE-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.13
Rot. Bonds

About 2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol

2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol (PubChem CID 174532858) has the molecular formula C19H17IO and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol.

Molecular Properties

Compound Name2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol
PubChem CID174532858
Molecular FormulaC19H17IO
Molecular Weight388.25 g/mol
Exact Mass388.03
IUPAC Name2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol
SMILESCC1=c2ccc3c(c2CCC1)CC=c1c(O)c(I)ccc1=3
InChIInChI=1S/C19H17IO/c1-11-3-2-4-13-12(11)5-6-15-14(13)7-8-17-16(15)9-10-18(20)19(17)21/h5-6,8-10,21H,2-4,7H2,1H3
InChIKeyYMAOJXJDLIOEAE-UHFFFAOYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
CID 175252158
8-bromo-1-methyl-7-propan-2-yloxy-2,3,4,5-tetrahydrochrysene
CID 174546861
8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174532849
8-bromo-1-methyl-7-prop-2-enoxy-2,3,4,5-tetrahydrochrysene
CID 175253719
8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546962
5-iodo-2,3-dihydro-1H-inden-4-ol
CID 23031206
8-chloro-1-ethyl-7-fluoro-2,3,4,5-tetrahydrochrysene
CID 174532842
1H-3-benzazepine;7-(3-methoxyphenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546805
3,6-diiodo-2-methylphenol
CID 131073470
(7-chloro-2,3,4,5-tetrahydrochrysen-1-yl)-(2-methyl-4-nitrophenyl)methanone
CID 174314463
bis(2,3,4,5-tetrahydrochrysen-1-yl) carbonate
CID 174520106
7,8-dichloro-2,3,4,5-tetrahydrochrysene
CID 175280785

Frequently Asked Questions

What is the IUPAC name of 2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol?
The IUPAC name of 2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol (CID 174532858) is 2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol.
What is the SMILES notation for 2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol?
The canonical SMILES for 2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol is CC1=c2ccc3c(c2CCC1)CC=c1c(O)c(I)ccc1=3.
What is the InChIKey of 2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol?
The InChIKey is YMAOJXJDLIOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IO/c1-11-3-2-4-13-12(11)5-6-15-14(13)7-8-17-16(15)9-10-18(20)19(17)21/h5-6,8-10,21H,2-4,7H2,1H3.
What are the key properties of 2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol?
2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol has a molecular weight of 388.25 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7-methyl-8,9,10,11-tetrahydrochrysen-1-ol is sourced from PubChem (CID 174532858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).