1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol

C22H22O — CID 175234681

IUPAC1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)C1C=CC=c2ccc3c(c21)CC=c1ccccc1=3
InChIInChI=1S/C22H22O/c1-14(2)22(23)20-9-5-7-16-11-12-18-17-8-4-3-6-15(17)10-13-19(18)21(16)20/h3-12,14,20,22-23H,13H2,1-2H3
InChIKeyAQVOZHPCQAHIJX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds2

About 1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol

1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol (PubChem CID 175234681) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol
PubChem CID175234681
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)C1C=CC=c2ccc3c(c21)CC=c1ccccc1=3
InChIInChI=1S/C22H22O/c1-14(2)22(23)20-9-5-7-16-11-12-18-17-8-4-3-6-15(17)10-13-19(18)21(16)20/h3-12,14,20,22-23H,13H2,1-2H3
InChIKeyAQVOZHPCQAHIJX-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol (CID 175234681) is 1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol is CC(C)C(O)C1C=CC=c2ccc3c(c21)CC=c1ccccc1=3.
What is the InChIKey of 1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol?
The InChIKey is AQVOZHPCQAHIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-14(2)22(23)20-9-5-7-16-11-12-18-17-8-4-3-6-15(17)10-13-19(18)21(16)20/h3-12,14,20,22-23H,13H2,1-2H3.
What are the key properties of 1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol?
1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol has a molecular weight of 302.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydrochrysen-4-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 175234681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).